Geometry & MOs

Info

ID:	204998
PubChem CID:	80041922
Reduced:	OSN2F4C12H12 (1)
Stoich.:	ABC2D4E12F12 (1)
Weight, g/mol:	300.054419
ΔH_f, kcal/mol:	-216.81
Dipole, Da:	8.01
IP(EA), eV:	-9.12(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(thiophen-3-ylmethyl)-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCN(CC(=S)N)C(=O)C1=C(C=CC(=C1)C(F)(F)F)F

DOS

IR

Vibrations