Geometry & MOs

Info

ID:	134853
PubChem CID:	51769067
Reduced:	N3O5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	525.156971
ΔH_f, kcal/mol:	-101.7
Dipole, Da:	8.68
IP(EA), eV:	-9.77(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(2S)-2-methoxy-2-phenylacetyl]-methylamino]-N-[(4-methylphenyl)sulfonylmethyl]-2-(4-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@H](C1=CC=C(C=C1)[N+](=O)[O-])N(C)C(=O)[C@H](C2=CC=CC=C2)OC

DOS

IR

Vibrations