Geometry & MOs

Info

ID:	245187
PubChem CID:	99437820
Reduced:	SN4O4C18H24 (1)
Stoich.:	AB4C4D18E24 (1)
Weight, g/mol:	421.076613
ΔH_f, kcal/mol:	-113.98
Dipole, Da:	11.27
IP(EA), eV:	-8.8(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-6-(thiomorpholine-4-carbonyl)phenyl]-2-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)NC2=CC=NN2C[C@H]3CCOC3

DOS

IR

Vibrations