Geometry & MOs

Info

ID:	437204
PubChem CID:	135215898
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	360.150764
ΔH_f, kcal/mol:	-41.98
Dipole, Da:	2.96
IP(EA), eV:	-8.84(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[4-(2-propan-2-ylpyridin-3-yl)phenyl]sulfonylbutanamide

Drug info:

PubChemData

Smile

CCC1=C(C=CC=N1)C2=CC=C(C=C2)NS(=O)(=O)C

DOS

IR

Vibrations