Geometry & MOs

Info

ID:	395839
PubChem CID:	135026677
Reduced:	N3O5C26H29 (1)
Stoich.:	A3B5C26D29 (1)
Weight, g/mol:	447.215806
ΔH_f, kcal/mol:	-76.45
Dipole, Da:	8.34
IP(EA), eV:	-9.09(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S,3R)-2-methyl-3-(4-nitroanilino)-5-phenylpentyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)OCC1=CC=CC=C1)[C@@H](COCC2=CC=CC=C2)NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations