Geometry & MOs

Info

ID:	159433
PubChem CID:	57280156
Reduced:	N3H9C11 (1)
Stoich.:	A3B9C11 (1)
Weight, g/mol:	340.207216
ΔH_f, kcal/mol:	93.85
Dipole, Da:	1.29
IP(EA), eV:	-9.36(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3R,4S)-4-(3-oxooctyl)thiolan-3-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC=CN2C#N

DOS

IR

Vibrations