Geometry & MOs

Info

ID:	17270
PubChem CID:	490980
Reduced:	N2O2C15H17 (2)
Stoich.:	A2B2C15D17 (2)
Weight, g/mol:	514.258006
ΔH_f, kcal/mol:	-105.9
Dipole, Da:	9.14
IP(EA), eV:	-8.67(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[1-cyclohexyl-2-(2-methylpent-4-en-2-yl)benzimidazole-5-carbonyl]amino]-2-(5-hydroxy-1H-indol-3-yl)acetic acid

Drug info:

PubChemData

Smile

CC(C)(CC=C)C1=NC2=C(N1C3CCCCC3)C=CC(=C2)C(=O)N[C@@H](C4=CNC5=C4C=C(C=C5)O)C(=O)O

DOS

IR

Vibrations