Geometry & MOs

Info

ID:	57423
PubChem CID:	22395878
Reduced:	N2S3O8C28H32 (1)
Stoich.:	A2B3C8D28E32 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-273.25
Dipole, Da:	7.83
IP(EA), eV:	-8.47(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-(2-methylpyrrolidine-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC(=CS3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations