Geometry & MOs

Info

ID:	144087
PubChem CID:	53308698
Reduced:	NO2C20H21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	539.145928
ΔH_f, kcal/mol:	-43.28
Dipole, Da:	6.64
IP(EA), eV:	-8.24(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S,3S)-3-(3-chlorophenyl)-2-methyl-4-nitro-1-oxobutan-2-yl]-N-(phenylmethoxycarbonylamino)carbamate

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C(=C1)C)N(C(=C2C(=O)C)C)C3=CC=CC=C3

DOS

IR

Vibrations