Geometry & MOs

Info

ID:	63842
PubChem CID:	26759296
Reduced:	ClSN2O4C18H19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	486.01103
ΔH_f, kcal/mol:	-120.6
Dipole, Da:	5.12
IP(EA), eV:	-9.37(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations