Geometry & MOs

Info

ID:	309980
PubChem CID:	126572068
Reduced:	FN4O6C38H49 (1)
Stoich.:	AB4C6D38E49 (1)
Weight, g/mol:	592.331251
ΔH_f, kcal/mol:	-272.23
Dipole, Da:	6.21
IP(EA), eV:	-8.89(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-(methoxymethyl)-2-methylpyridin-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=C(C(=C(C(=N1)CNC(=O)C(=O)N(C)C)C2=CC=C(C=C2)OCCC3=CC=C(C=C3)F)N4CCC(CC4)(C)C)[C@@H](C(=O)O)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=C(C(=C(C(=N1)CNC(=O)C(=O)N(C)C)C2=CC=C(C=C2)OCCC3=CC=C(C=C3)F)N4CCC(CC4)(C)C)[C@@H](C(=O)O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):