Geometry & MOs

Info

ID:	426710
PubChem CID:	135153498
Reduced:	S2N3F4H5C10 (1)
Stoich.:	A2B3C4D5E10 (1)
Weight, g/mol:	317.020117
ΔH_f, kcal/mol:	-88.1
Dipole, Da:	4.31
IP(EA), eV:	-9.13(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-4-(difluoromethyl)-N-methylthiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)NC(=S)C2=C(N=NS2)C(F)F)F

DOS

IR

Vibrations