Geometry & MOs

Info

ID:	185909
PubChem CID:	77367779
Reduced:	ClSN3O3C26H28 (1)
Stoich.:	ABC3D3E26F28 (1)
Weight, g/mol:	499.169641
ΔH_f, kcal/mol:	-58.75
Dipole, Da:	2.03
IP(EA), eV:	-8.81(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]butanoylamino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCCCC=CSC1=NC=C(N1CC2=CC=CC=C2Cl)C(=O)NC(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations