Geometry & MOs

Info

ID:	42981
PubChem CID:	10317509
Reduced:	OSN6H18C19 (1)
Stoich.:	ABC6D18E19 (1)
Weight, g/mol:	378.204239
ΔH_f, kcal/mol:	76.85
Dipole, Da:	9.05
IP(EA), eV:	-9.54(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2E,6R)-9-[(2R)-6-hydroxy-2-methyl-4-oxo-2,3-dihydropyran-5-yl]-6-methyl-2-[(2S)-2-methylbutylidene]-9-oxonon-3-enoic acid

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)NC2=NC(=O)N=C(N2)NC3=CC4=C(C=C3)N=CS4

DOS

IR

Vibrations