Geometry & MOs

Info

ID:	229688
PubChem CID:	87568466
Reduced:	O2C9H16 (2)
Stoich.:	A2B9C16 (2)
Weight, g/mol:	508.171118
ΔH_f, kcal/mol:	-231.55
Dipole, Da:	3.89
IP(EA), eV:	-10.05(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]triazol-2-yl]propanoate;hydrochloride

Drug info:

PubChemData

Smile

CCC(CC)CC(=C(C)C(=O)O)CCCCCC(C)C(=O)O

DOS

IR

Vibrations