Geometry & MOs

Info

ID:	176733
PubChem CID:	76089316
Reduced:	SN3O6C36H39 (1)
Stoich.:	AB3C6D36E39 (1)
Weight, g/mol:	357.132471
ΔH_f, kcal/mol:	-210.23
Dipole, Da:	4.74
IP(EA), eV:	-8.82(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-3-phenylpropanoyl)amino]-3-(4-nitrophenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(CC2=CC=CC=C21)C(=O)N3CC(CC3C(=O)N4CC5=CC=CC=C5CC4CC(=O)O)SC6=CC=CC=C6

DOS

IR

Vibrations