Geometry & MOs

Info

ID:

172593

PubChem CID:

75527701

Reduced:

OSN2C22H22 (1)

Stoich.:

ABC2D22E22 (1)

Weight, g/mol:

666.2735

ΔHf, kcal/mol:

16.15

Dipole, Da:

7.04

IP(EA), eV:

 -8.28(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[4,5-dihydroxy-6-[(6E)-8-methoxy-3,7-dimethyl-8-oxoocta-1,6-dien-3-yl]oxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2NC3=C(C(=O)N2C)SC=C3C4=CC=C(C=C4)C

DOS

IR

Vibrations