Geometry & MOs

Info

ID:	395838
PubChem CID:	135026676
Reduced:	N2O4C29H30 (1)
Stoich.:	A2B4C29D30 (1)
Weight, g/mol:	463.210721
ΔH_f, kcal/mol:	-91.36
Dipole, Da:	1.56
IP(EA), eV:	-8.66(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S,3S)-2-methyl-3-(4-nitroanilino)-4-phenylmethoxybutyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C=C(N([C@H]1NC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3C)C(=O)OC)C4=CC=CC=C4

DOS

IR

Vibrations