Geometry & MOs

Info

ID:	229718
PubChem CID:	87568637
Reduced:	NO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	456.188292
ΔH_f, kcal/mol:	-110.93
Dipole, Da:	4.7
IP(EA), eV:	-8.29(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]pyrrol-1-yl]acetate

Drug info:

PubChemData

Smile

C/C(=C/1\C=C(C=CC1=O)O)/NC(CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations