Geometry & MOs

Info

ID:	229382
PubChem CID:	87567516
Reduced:	NOC7H13 (3)
Stoich.:	ABC7D13 (3)
Weight, g/mol:	388.107934
ΔH_f, kcal/mol:	-54.7
Dipole, Da:	0.94
IP(EA), eV:	-8.67(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCCC(N1ON(C(=O)C=C)ON2C(CCCC2(C)C)(C)C)(C)C)C

DOS

IR

Vibrations