Geometry & MOs

Info

ID:

421106

PubChem CID:

135115388

Reduced:

O2N3C22H29 (1)

Stoich.:

A2B3C22D29 (1)

Weight, g/mol:

485.300205

ΔHf, kcal/mol:

-57.43

Dipole, Da:

5.17

IP(EA), eV:

 -8.82(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-20-methoxy-15-(3-methylbutyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C)C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations