Geometry & MOs

Info

ID:

43872

PubChem CID:

10321911

Reduced:

O3H13C14 (2)

Stoich.:

A3B13C14 (2)

Weight, g/mol:

458.195405

ΔHf, kcal/mol:

-157.78

Dipole, Da:

5.87

IP(EA), eV:

 -8.74(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(19S)-7-[3-(dimethylamino)prop-1-ynyl]-10,19-diethyl-19-hydroxy-17-oxa-3,6,13-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C(=C(C3C2C=CC=C3)OCC4=CC=CC=C4)CC(=O)O)CC(=O)O

DOS

IR

Vibrations