Geometry & MOs

Info

ID:	64626
PubChem CID:	29203481
Reduced:	ClSN2O2C21H21 (1)
Stoich.:	ABC2D2E21F21 (1)
Weight, g/mol:	461.158685
ΔH_f, kcal/mol:	-31.79
Dipole, Da:	2.78
IP(EA), eV:	-9.02(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-[(4-nitrobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2)OC4=CC=CC=C4Cl

DOS

IR

Vibrations