Geometry & MOs

Info

ID:	402434
PubChem CID:	135055944
Reduced:	ClN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	415.210721
ΔH_f, kcal/mol:	-82.33
Dipole, Da:	5.17
IP(EA), eV:	-8.91(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(3S)-1-ethoxy-4-methyl-3-(4-nitroanilino)pentyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(C1C(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations