Geometry & MOs

Info

ID:	426754
PubChem CID:	135153702
Reduced:	ClSN3O4C25H26 (1)
Stoich.:	ABC3D4E25F26 (1)
Weight, g/mol:	338.927001
ΔH_f, kcal/mol:	-94.4
Dipole, Da:	5.97
IP(EA), eV:	-8.88(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-4-(difluoromethyl)thiadiazole-5-carbothioamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)N3CCOCC3C4=CC=C(C=C4)Cl

DOS

IR

Vibrations