Geometry & MOs

Info

ID:	44539
PubChem CID:	10503955
Reduced:	FO2N5C25H34 (1)
Stoich.:	AB2C5D25E34 (1)
Weight, g/mol:	455.257277
ΔH_f, kcal/mol:	-58.66
Dipole, Da:	2.67
IP(EA), eV:	-8.53(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(S)-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-phenylmethyl]pentanoic acid

Drug info:

PubChemData

Smile

CCCCN1C=CC\2=C1C(=O)N(CC/C2=N\O)CCCN3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations