Geometry & MOs

Info

ID:	46396
PubChem CID:	10524240
Reduced:	ClN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	385.84186
ΔH_f, kcal/mol:	-122.04
Dipole, Da:	3.24
IP(EA), eV:	-9.03(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R)-1,4,5,6,7,8-hexachloro-2,2-dimethoxybicyclo[4.2.0]octa-4,7-dien-3-one

Drug info:

PubChemData

Smile

COC(=O)[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)O

DOS

IR

Vibrations