Geometry & MOs

Info

ID:

180346

PubChem CID:

76618201

Reduced:

N3O6C45H77 (1)

Stoich.:

A3B6C45D77 (1)

Weight, g/mol:

587.320665

ΔHf, kcal/mol:

-380.89

Dipole, Da:

6.29

IP(EA), eV:

 -8.94(0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[13,20-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,22-dioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

Drug info:

PubChemData

Smile

CCOC(=O)CCNC(=O)CCNC(=O)CCCCN(C1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations