Geometry & MOs

Info

ID:

125036

PubChem CID:

50907751

Reduced:

N3O4C24H27 (1)

Stoich.:

A3B4C24D27 (1)

Weight, g/mol:

425.0391

ΔHf, kcal/mol:

-104.66

Dipole, Da:

5.47

IP(EA), eV:

 -8.56(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-(20-methyl-11-selena-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,6,8,12,14,16,18-nonaen-7-yl)acetate

Drug info:

PubChemData

Smile

CC(C)NC(=O)N(C1=NC(=CC2=CC3=C(C=C21)OCO3)C4=CC=C(C=C4)OC)C(C)C

DOS

IR

Vibrations