Geometry & MOs

Info

ID:	228958
PubChem CID:	87566414
Reduced:	FSN3O4C26H30 (1)
Stoich.:	ABC3D4E26F30 (1)
Weight, g/mol:	389.103183
ΔH_f, kcal/mol:	-123.76
Dipole, Da:	4.63
IP(EA), eV:	-8.77(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-4-sulfanyl-3-(1,2,5-thiadiazol-3-ylmethylidene)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=CC=N1)/C=C/2\CN(CCC2SC(=O)C)C(C3=CC=CC=C3F)C(=O)C4CC4

DOS

IR

Vibrations