Geometry & MOs

Info

ID:	431979
PubChem CID:	135172107
Reduced:	N3O4C27H35 (1)
Stoich.:	A3B4C27D35 (1)
Weight, g/mol:	490.294391
ΔH_f, kcal/mol:	-124.2
Dipole, Da:	6.53
IP(EA), eV:	-8.65(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[(4S)-5-oxo-4-phenyl-1,4-dihydroimidazol-2-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)OCC(=O)O)NC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations