Geometry & MOs

Info

ID:	426738
PubChem CID:	135153633
Reduced:	ClSF2O2N3H8C11 (1)
Stoich.:	ABC2D2E3F8G11 (1)
Weight, g/mol:	368.000252
ΔH_f, kcal/mol:	-113.42
Dipole, Da:	1.33
IP(EA), eV:	-9.22(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethyl)-N-[4-nitro-3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)C2=C(N=NS2)CCl)OC(F)F

DOS

IR

Vibrations