Geometry & MOs

Info

ID:	246744
PubChem CID:	103064774
Reduced:	ClOSN2C13H17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	290.070069
ΔH_f, kcal/mol:	-46.0
Dipole, Da:	4.09
IP(EA), eV:	-8.51(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=C(C=C(C=C1)Cl)C(=O)NC2CCSC2

DOS

IR

Vibrations