Geometry & MOs

Info

ID:	375925
PubChem CID:	134221921
Reduced:	NO2F5H26C29 (1)
Stoich.:	AB2C5D26E29 (1)
Weight, g/mol:	573.252666
ΔH_f, kcal/mol:	-295.97
Dipole, Da:	3.25
IP(EA), eV:	-8.52(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[1-(2,3-dihydro-1-benzofuran-6-carbonyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-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

CCC1=C(C2=C(C=C1C)N(CC2)C(=O)C3=C(C(=CC=C3)C(F)(F)F)F)C4=CC(=C5C(=C4C)CCCO5)F

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

CCC1=C(C2=C(C=C1C)N(CC2)C(=O)C3=C(C(=CC=C3)C(F)(F)F)F)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):