Geometry & MOs

Info

ID:	395840
PubChem CID:	135026678
Reduced:	N3O4C26H29 (1)
Stoich.:	A3B4C26D29 (1)
Weight, g/mol:	405.168856
ΔH_f, kcal/mol:	-48.13
Dipole, Da:	9.38
IP(EA), eV:	-9.2(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(3S)-3-(4-nitroanilino)-3-phenylpropyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)OCC1=CC=CC=C1)[C@@H](CCC2=CC=CC=C2)NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations