Geometry & MOs

Info

ID:	413659
PubChem CID:	135086608
Reduced:	NSO3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	362.082409
ΔH_f, kcal/mol:	-97.18
Dipole, Da:	4.63
IP(EA), eV:	-9.87(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfonylethanone

Drug info:

PubChemData

Smile

CCNS(=O)(=O)CC(=O)C1=CC=CC=C1

DOS

IR

Vibrations