Geometry & MOs

Info

ID:	206393
PubChem CID:	80244010
Reduced:	FN2O2S2C13H15 (1)
Stoich.:	AB2C2D2E13F15 (1)
Weight, g/mol:	323.9932
ΔH_f, kcal/mol:	-93.35
Dipole, Da:	7.36
IP(EA), eV:	-8.72(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-bromo-N-[(4-methylthiophen-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CNS(=O)(=O)C2=C(C=C(C=C2)N)F

DOS

IR

Vibrations