Geometry & MOs

Info

ID:

163898

PubChem CID:

74380661

Reduced:

NO11C31H49 (1)

Stoich.:

AB11C31D49 (1)

Weight, g/mol:

637.346211

ΔHf, kcal/mol:

-485.93

Dipole, Da:

9.6

IP(EA), eV:

 -10.0(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-[4-[[2-hydroxy-2-(2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl)acetyl]amino]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-yl]-11-oxododeca-2,4-dienoic acid

Drug info:

PubChemData

Smile

CC1C(OC(CC1=C)(C(C(=O)NC2C3C(C(C(C(O3)CC(CCCC=CC=CC(=O)O)O)(C)C)OC)OCO2)O)OC)C

DOS

IR

Vibrations