Geometry & MOs

Info

ID:	431558
PubChem CID:	135171646
Reduced:	ClO3N4C24H33 (1)
Stoich.:	AB3C4D24E33 (1)
Weight, g/mol:	285.020596
ΔH_f, kcal/mol:	-93.58
Dipole, Da:	9.31
IP(EA), eV:	-8.66(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethyl)-N-(4-methylphenyl)thiadiazole-5-carbothioamide

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)CC(=O)OC)NC3=NN=C(C=C3)Cl

DOS

IR

Vibrations