Geometry & MOs

Info

ID:	243566
PubChem CID:	99226865
Reduced:	NO3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	461.044834
ΔH_f, kcal/mol:	-127.7
Dipole, Da:	8.57
IP(EA), eV:	-8.76(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]-3-methylsulfonyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=C(C=C1)OC)OC)NC(=O)C2=C(C=CC(=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations