Geometry & MOs

Info

ID:	137542
PubChem CID:	52223663
Reduced:	ON2H9C11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	399.179421
ΔH_f, kcal/mol:	17.52
Dipole, Da:	6.01
IP(EA), eV:	-8.68(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-ethyl-N-[[2-[(4-nitrobenzoyl)amino]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations