Geometry & MOs

Info

ID:	188197
PubChem CID:	77680953
Reduced:	S2N4O7C33H44 (1)
Stoich.:	A2B4C7D33E44 (1)
Weight, g/mol:	369.194008
ΔH_f, kcal/mol:	-230.41
Dipole, Da:	14.93
IP(EA), eV:	-8.99(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(3-hydroxy-4-phenylbut-2-enyl)-6-oxopiperidin-1-yl]hept-5-ynoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CSCC1C(=O)NC(CNC(=O)C2=CC=CC=C2O)C(CC3=CC=C(C=C3)[N+](=O)[O-])SCC4CCCCC4

DOS

IR

Vibrations