Geometry & MOs

Info

ID:

329249

PubChem CID:

126733057

Reduced:

OC5H6 (4)

Stoich.:

AB5C6 (4)

Weight, g/mol:

555.275151

ΔHf, kcal/mol:

-139.37

Dipole, Da:

8.86

IP(EA), eV:

-8.97(-0.76)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

methyl (1S,2R,5S,10S,11R,15S,22S,23R)-22-carbonochloridoyl-1,2,8,8,15,22-hexamethyl-12-oxo-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-5-carboxylate

Drug info:

PubChemData

Smile

COCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations