Geometry & MOs

Info

ID:	312030
PubChem CID:	126601978
Reduced:	N2O3C32H40 (1)
Stoich.:	A2B3C32D40 (1)
Weight, g/mol:	749.4204
ΔH_f, kcal/mol:	-121.07
Dipole, Da:	2.55
IP(EA), eV:	-8.96(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-(3,4-dihydro-2H-chromen-6-yl)-5-[2-[(2-fluoro-6-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-2-methyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC=C(C=C1)C2=C(C(=NC(=C2C3=CC4=C(CNCC4)C=C3)C)C)[C@@H](C(=O)OC(C)C)OC(C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC=C(C=C1)C2=C(C(=NC(=C2C3=CC4=C(CNCC4)C=C3)C)C)[C@@H](C(=O)OC(C)C)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):