Geometry & MOs

Info

ID:	426752
PubChem CID:	135153699
Reduced:	BrOSF3N3H7C11 (1)
Stoich.:	ABCD3E3F7G11 (1)
Weight, g/mol:	280.023038
ΔH_f, kcal/mol:	-101.59
Dipole, Da:	2.78
IP(EA), eV:	-9.57(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanophenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)CF)NC(=O)C2=C(N=NS2)C(F)F

DOS

IR

Vibrations