Geometry & MOs

Info

ID:	286568
PubChem CID:	104171082
Reduced:	SN2O4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	323.9932
ΔH_f, kcal/mol:	-127.36
Dipole, Da:	6.65
IP(EA), eV:	-8.48(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-cyanophenyl)thiane-2-carboxamide

Drug info:

PubChemData

Smile

CC(CN1C=C(C2=C1C=CC=C2OC)S(=O)(=O)N)OC

DOS

IR

Vibrations