Geometry & MOs

Info

ID:	274794
PubChem CID:	103811719
Reduced:	OSN2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	290.070069
ΔH_f, kcal/mol:	-32.26
Dipole, Da:	3.29
IP(EA), eV:	-8.75(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(thiolan-3-yl)-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)C(CN)C2=CC=CC=C2

DOS

IR

Vibrations