Geometry & MOs

Info

ID:	43095
PubChem CID:	10318454
Reduced:	SCl2O2N3H13C17 (1)
Stoich.:	AB2C2D3E13F17 (1)
Weight, g/mol:	394.04214
ΔH_f, kcal/mol:	-7.74
Dipole, Da:	5.16
IP(EA), eV:	-8.54(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NC(=O)C2=CSC(=N2)CC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations