Geometry & MOs

Info

ID:	46589
PubChem CID:	10525406
Reduced:	OSN4C23H26 (1)
Stoich.:	ABC4D23E26 (1)
Weight, g/mol:	406.271924
ΔH_f, kcal/mol:	73.92
Dipole, Da:	6.6
IP(EA), eV:	-8.67(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3S,6R)-6-[(6E)-hexadeca-6,15-dien-4-ynyl]-6-methoxydioxan-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=NN=C3N2N=C(S3)C(C)C4=CC=C(C=C4)CC(C)C

DOS

IR

Vibrations