Geometry & MOs

Info

ID:	36815
PubChem CID:	8013222
Reduced:	ClSN4O4H9C13 (1)
Stoich.:	ABC4D4E9F13 (1)
Weight, g/mol:	406.075406
ΔH_f, kcal/mol:	2.5
Dipole, Da:	4.97
IP(EA), eV:	-9.18(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])NN=C2

DOS

IR

Vibrations