Geometry & MOs

Info

ID:	131117
PubChem CID:	51158267
Reduced:	NSO3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	312.150764
ΔH_f, kcal/mol:	-74.57
Dipole, Da:	3.17
IP(EA), eV:	-8.67(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCCCSC2=CC=CC=C2)OC

DOS

IR

Vibrations