Geometry & MOs

Info

ID:	392379
PubChem CID:	135015050
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	318.219495
ΔH_f, kcal/mol:	-139.03
Dipole, Da:	4.05
IP(EA), eV:	-8.2(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z,8Z)-9-[(1R,2R,3R,5S)-3-[(Z)-hex-3-enyl]-6-oxabicyclo[3.1.0]hexan-2-yl]nona-5,8-dienoic acid

Drug info:

PubChemData

Smile

COC1=NC=CC(=C1N)CC(CC[C@@H](COCC2=CC=CC=C2)O)O

DOS

IR

Vibrations