Geometry & MOs

Info

ID:

215296

PubChem CID:

85084499

Reduced:

N3O4C22H29 (2)

Stoich.:

A3B4C22D29 (2)

Weight, g/mol:

798.512942

ΔHf, kcal/mol:

-328.93

Dipole, Da:

2.73

IP(EA), eV:

 -8.28(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[3,9-dimethyl-2-(5,7,9,11-tetraacetyloxy-10-methoxy-6,12-dimethyltridecan-2-yl)-1,7-dioxaspiro[5.5]undecan-8-yl]-3-methylpentan-2-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)N2C(C(=O)NC(C(=O)N3CCCC3C(=O)NCC2=O)CC4=CC5=CC=CC=C5C=C4)CCCCN)NC(=O)OC(C)(C)C

DOS

IR

Vibrations