Geometry & MOs

Info

ID:	229467
PubChem CID:	87567747
Reduced:	O8C9H18 (1)
Stoich.:	A8B9C18 (1)
Weight, g/mol:	425.07986
ΔH_f, kcal/mol:	-367.33
Dipole, Da:	5.86
IP(EA), eV:	-10.14(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-4-sulfanyl-3-(thiadiazol-4-ylmethylidene)piperidin-1-yl]ethanone;hydrochloride

Drug info:

PubChemData

Smile

CCCOC(C(C(=O)O)O)C(=O)O.C(CO)O

DOS

IR

Vibrations