Geometry & MOs

Info

ID:	62903
PubChem CID:	26737562
Reduced:	Cl2O2N5C19H22 (1)
Stoich.:	A2B2C5D19E22 (1)
Weight, g/mol:	495.123736
ΔH_f, kcal/mol:	6.56
Dipole, Da:	7.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.940133
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(1S,2S,6R,7R)-10-benzhydrylidene-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-2-chlorobenzoate

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CCC(=O)NNC(=O)C2=C(C=CC(=N2)Cl)Cl)C3=CC=CC=C3

DOS

IR

Vibrations