Geometry & MOs

Info

ID:	149012
PubChem CID:	53788683
Reduced:	N4O4H22C31 (1)
Stoich.:	A4B4C22D31 (1)
Weight, g/mol:	563.07807
ΔH_f, kcal/mol:	53.63
Dipole, Da:	8.8
IP(EA), eV:	-8.94(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[benzenesulfonyl(carbamoyl)amino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C(=C1C=CC=C=CC2=C(C(=C(N(C2=O)C3=CC=CC=C3)O)[N+]#[C-])C)O)C4=CC=CC=C4)C#N

DOS

IR

Vibrations