Geometry & MOs

Info

ID:	162059
PubChem CID:	57393478
Reduced:	NCl2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	456.157288
ΔH_f, kcal/mol:	-43.44
Dipole, Da:	2.51
IP(EA), eV:	-9.08(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-6-[(1R,2S,3R,4S)-2-(4-methoxy-6-oxopyran-2-yl)-3,4-diphenylcyclobutyl]pyran-2-one

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)OCCOC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations