Geometry & MOs

Info

ID:	137519
PubChem CID:	52219068
Reduced:	SO2N4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	376.109293
ΔH_f, kcal/mol:	-36.33
Dipole, Da:	12.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756279
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (3S)-3-[(3-methylthiophene-2-carbonyl)amino]-3-(2-nitrophenyl)propanoate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=NC(=CS2)CC(=O)N[C@@H]3CC[NH+](C3)CC4=CC=CC=C4

DOS

IR

Vibrations