Geometry & MOs

Info

ID:

228982

PubChem CID:

87566638

Reduced:

SO4N5H27C31 (1)

Stoich.:

AB4C5D27E31 (1)

Weight, g/mol:

536.202418

ΔHf, kcal/mol:

4.68

Dipole, Da:

6.18

IP(EA), eV:

 -8.25(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 5-[4-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]triazol-1-yl]pentanoate;hydrochloride

Drug info:

PubChemData

Smile

C1CN(C2=C1C=CC(=C2)NC(=O)C3=C(C=CS3)NCC4=CC=NC5=CC=CC=C45)C6=C(C(=O)C6=O)N7CCOCC7

DOS

IR

Vibrations