Geometry & MOs

Info

ID:	426695
PubChem CID:	135153392
Reduced:	SN3O4C24H37 (1)
Stoich.:	AB3C4D24E37 (1)
Weight, g/mol:	299.036246
ΔH_f, kcal/mol:	-183.5
Dipole, Da:	8.81
IP(EA), eV:	-8.72(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethyl)-N-(3,5-dimethylphenyl)thiadiazole-5-carbothioamide

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NC(=S)NC(=O)COC

DOS

IR

Vibrations