Geometry & MOs

Info

ID:	146613
PubChem CID:	53717046
Reduced:	SN3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	437.139386
ΔH_f, kcal/mol:	89.16
Dipole, Da:	5.18
IP(EA), eV:	-7.92(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-chloro-6-methoxy-2-oxo-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanoate

Drug info:

PubChemData

Smile

CN1C=CSC1=NC2=CC=C(C=C2)NC3=CC=CC=C3

DOS

IR

Vibrations