Geometry & MOs

Info

ID:

162628

PubChem CID:

57410830

Reduced:

N2O2C10H11 (2)

Stoich.:

A2B2C10D11 (2)

Weight, g/mol:

590.256943

ΔHf, kcal/mol:

-106.53

Dipole, Da:

6.78

IP(EA), eV:

 -8.85(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(20R,21R,30S)-20-methyl-20-(4-methylpent-3-enyl)-19,23-dioxa-3,10-diazaheptacyclo[16.12.0.02,11.04,9.012,17.021,30.024,29]triaconta-1(18),2,4(9),5,7,10,12,14,16,24,26,28-dodecaen-6-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC[C@@]1(C(=O)N(C(=O)N1)C2=CN=C(N=C2)OC3=CC=CC4=C3C(CCO4)C)C

DOS

IR

Vibrations