Geometry & MOs

Info

ID:	69007
PubChem CID:	46515156
Reduced:	N2F3O3S3C18H19 (1)
Stoich.:	A2B3C3D3E18F19 (1)
Weight, g/mol:	499.105805
ΔH_f, kcal/mol:	-238.14
Dipole, Da:	8.55
IP(EA), eV:	-8.87(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[[4-(5-benzylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoyl]amino]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC=CC=C3SCC(F)(F)F

DOS

IR

Vibrations