Geometry & MOs

Info

ID:	163753
PubChem CID:	74374145
Reduced:	Cl2N3O4C20H23 (1)
Stoich.:	A2B3C4D20E23 (1)
Weight, g/mol:	577.257671
ΔH_f, kcal/mol:	-113.4
Dipole, Da:	1.87
IP(EA), eV:	-9.67(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-[3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5-methyl-2-oxopiperidin-1-yl]ethyl]benzoyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C3NC4CC(CC(C4C(=O)N3)OC)OC

DOS

IR

Vibrations