Geometry & MOs

Info

ID:	127292
PubChem CID:	50997505
Reduced:	N3S3O4C16H27 (1)
Stoich.:	A3B3C4D16E27 (1)
Weight, g/mol:	346.047956
ΔH_f, kcal/mol:	-135.44
Dipole, Da:	3.35
IP(EA), eV:	-8.98(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]cyclohexyl]methyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCC1CCC(C(C1)O)SC2=NNC(=S)S2.CNCCO

DOS

IR

Vibrations