Geometry & MOs

Info

ID:

180640

PubChem CID:

76663670

Reduced:

O5C18H29 (2)

Stoich.:

A5B18C29 (2)

Weight, g/mol:

657.435301

ΔHf, kcal/mol:

-510.0

Dipole, Da:

7.04

IP(EA), eV:

 -9.65(0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

20-acetyloxy-21-[2-(1,2-diaminoethylideneamino)propoxy]-5,7,10,15-tetramethyl-7-(3-methylbutan-2-yl)-4-oxo-17-oxapentacyclo[13.3.3.01,14.02,11.05,10]henicos-2-ene-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(C)C1(CCC2(C3CCC4C5(COCC4(C3=CCC2(C1C(=O)O)C)CC(C5OC6C(C(C(C(O6)CO)O)O)O)O)C)C)C

DOS

IR

Vibrations