Geometry & MOs

Info

ID:	228839
PubChem CID:	87565927
Reduced:	ClNOSiC5H14 (1)
Stoich.:	ABCDE5F14 (1)
Weight, g/mol:	472.19444
ΔH_f, kcal/mol:	-65.91
Dipole, Da:	3.82
IP(EA), eV:	-9.25(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]triazol-1-yl]pentanoic acid

Drug info:

PubChemData

Smile

C[Si](C)(CCCN)OCl

DOS

IR

Vibrations