Geometry & MOs

Info

ID:	229389
PubChem CID:	87567533
Reduced:	SN3O3C15H21 (1)
Stoich.:	AB3C3D15E21 (1)
Weight, g/mol:	518.078002
ΔH_f, kcal/mol:	-100.04
Dipole, Da:	6.27
IP(EA), eV:	-8.7(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(3Z)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-(thiadiazol-4-ylmethylidene)piperidin-4-yl] 2-aminoethanethioate;dihydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)CN1C=C(N=C1)/C=C\2/CNCCC2SC(=O)C

DOS

IR

Vibrations