Geometry & MOs

Info

ID:	218070
PubChem CID:	85088816
Reduced:	FSO2N5H20C21 (1)
Stoich.:	ABC2D5E20F21 (1)
Weight, g/mol:	425.220223
ΔH_f, kcal/mol:	-27.34
Dipole, Da:	6.56
IP(EA), eV:	-8.64(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-[4-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-7-pyridin-3-ylhept-6-enoate

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)N4CC(OC4=O)CSC5=NC=NN5)F

DOS

IR

Vibrations