Geometry & MOs

Info

ID:

54249

PubChem CID:

16956949

Reduced:

ClO3N4H21C23 (1)

Stoich.:

AB3C4D21E23 (1)

Weight, g/mol:

431.022832

ΔHf, kcal/mol:

-36.87

Dipole, Da:

5.58

IP(EA), eV:

 -8.59(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-chloro-11-(4-chlorophenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-21-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NN3C=CN(C(=O)C3=C2)CC(=O)NC4=C(C=CC(=C4)Cl)C

DOS

IR

Vibrations