Geometry & MOs

Info

ID:	312605
PubChem CID:	126606764
Reduced:	O2H12C13 (1)
Stoich.:	A2B12C13 (1)
Weight, g/mol:	569.144839
ΔH_f, kcal/mol:	18.54
Dipole, Da:	5.48
IP(EA), eV:	-9.23(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10R,15S)-5-chloro-15-[4-(3-chloro-2,6-difluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-8,17-diazatricyclo[14.3.1.02,7]icosa-1(20),2(7),3,5,16,18-hexaen-9-one

Drug info:

PubChemData

Smile

C/C=C\C1=C(C=CC(=C1OC)C=O)C#C

DOS

IR

Vibrations