Geometry & MOs

Info

ID:	329492
PubChem CID:	126737502
Reduced:	N4O5C23H34 (1)
Stoich.:	A4B5C23D34 (1)
Weight, g/mol:	436.141656
ΔH_f, kcal/mol:	-160.83
Dipole, Da:	7.8
IP(EA), eV:	-9.2(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[4-[methyl(methylsulfonyl)amino]-2-nitroanilino]phenyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC(C1)NC2=C(C=C(C=C2)C(=O)N(C)C3CCCCC3)[N+](=O)[O-]

DOS

IR

Vibrations