Geometry & MOs

Info

ID:	77420
PubChem CID:	48430013
Reduced:	SN2O5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	364.091535
ΔH_f, kcal/mol:	-157.65
Dipole, Da:	9.45
IP(EA), eV:	-8.78(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(methanesulfonamido)-4-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)NS(=O)(=O)C

DOS

IR

Vibrations