Geometry & MOs

Info

ID:

395288

PubChem CID:

135025098

Reduced:

OC5H8 (3)

Stoich.:

AB5C8 (3)

Weight, g/mol:

584.334918

ΔHf, kcal/mol:

-151.22

Dipole, Da:

5.63

IP(EA), eV:

-9.8(0.0)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

methyl (3E,5Z,7E)-8-[(1S,3R,5Z,7S,11S,12S,13E,15R)-5-(2-methoxy-2-oxoethylidene)-12,15-dimethyl-9-oxo-10,21,22-trioxatricyclo[15.3.1.13,7]docos-13-en-11-yl]-3-methylocta-3,5,7-trienoate

Drug info:

PubChemData

Smile

C1CCOC(C1)OCCCCC2=CC(=O)CCC2

DOS

IR

Vibrations