Geometry & MOs

Info

ID:	204106
PubChem CID:	79913197
Reduced:	BrN2O2S2H13C14 (1)
Stoich.:	AB2C2D2E13F14 (1)
Weight, g/mol:	367.02416
ΔH_f, kcal/mol:	11.12
Dipole, Da:	2.86
IP(EA), eV:	-9.62(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N(CCC#N)C2=CC=CC=C2)Br

DOS

IR

Vibrations