Geometry & MOs

Info

ID:	197295
PubChem CID:	78949566
Reduced:	ISN2O2C10H11 (1)
Stoich.:	ABC2D2E10F11 (1)
Weight, g/mol:	424.95582
ΔH_f, kcal/mol:	-42.78
Dipole, Da:	2.96
IP(EA), eV:	-9.52(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)C2=CSC(=C2)I

DOS

IR

Vibrations