Geometry & MOs

Info

ID:	343924
PubChem CID:	127267100
Reduced:	NSO3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	323.093977
ΔH_f, kcal/mol:	-87.16
Dipole, Da:	3.57
IP(EA), eV:	-9.55(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3-ethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)S(=O)(=O)N(C)C2=CC=CC=C2CO

DOS

IR

Vibrations