Geometry & MOs

Info

ID:	185908
PubChem CID:	77367778
Reduced:	ClN3O3C26H30 (1)
Stoich.:	AB3C3D26E30 (1)
Weight, g/mol:	497.153991
ΔH_f, kcal/mol:	-98.45
Dipole, Da:	5.0
IP(EA), eV:	-9.44(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[(2-chlorophenyl)methyl]-2-hex-1-enylsulfanylimidazole-4-carbonyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCCCC(C1=CC=CC=C1Cl)C2=NC=C(N2)CC(=O)NC(C)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations