Geometry & MOs

Info

ID:	63762
PubChem CID:	26759137
Reduced:	ClSN2O6H17C18 (1)
Stoich.:	ABC2D6E17F18 (1)
Weight, g/mol:	452.107579
ΔH_f, kcal/mol:	-133.6
Dipole, Da:	2.17
IP(EA), eV:	-8.95(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-4-(methylsulfonylmethyl)benzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations