Geometry & MOs

Info

ID:	216873
PubChem CID:	85086906
Reduced:	S2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-83.49
Dipole, Da:	4.39
IP(EA), eV:	-8.64(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-methoxyphenyl)-7-pyridin-3-ylhept-6-enoic acid

Drug info:

PubChemData

Smile

C1CSC(=CC(CC2=CC3=C(C=C2)OCO3)CO)SC1

DOS

IR

Vibrations