Geometry & MOs

Info

ID:	307292
PubChem CID:	125299507
Reduced:	ClO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	398.13972
ΔH_f, kcal/mol:	-45.11
Dipole, Da:	5.93
IP(EA), eV:	-8.71(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6R,7S,8S,12R)-5-(4-chlorophenyl)-10-cyclohexyl-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione

Drug info:

PubChemData

Smile

CCCC1=NC(=NC(=O)C1)NC2=C(C=C(C(=C2)C)Cl)OC

DOS

IR

Vibrations