Geometry & MOs

Info

ID:	426708
PubChem CID:	135153495
Reduced:	SF3O4N5C31H36 (1)
Stoich.:	AB3C4D5E31F36 (1)
Weight, g/mol:	363.014545
ΔH_f, kcal/mol:	-245.13
Dipole, Da:	3.51
IP(EA), eV:	-9.2(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propan-2-yl-N-[3-(trifluoromethylsulfanyl)phenyl]thiadiazole-5-carbothioamide

Drug info:

PubChemData

Smile

CC(C)CN(C1CC2(C1)CN(C2)C(=O)OC(C)(C)C)C3=C(C=C(C=C3)C4=CC=CC=C4C(=O)O)NC5=NC(=NS5)C(F)(F)F

DOS

IR

Vibrations