Geometry & MOs

Info

ID:	136796
PubChem CID:	52101786
Reduced:	ClON5H25C26 (1)
Stoich.:	ABC5D25E26 (1)
Weight, g/mol:	496.214427
ΔH_f, kcal/mol:	98.88
Dipole, Da:	5.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.053947
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-1-[(3R)-1,1-dioxothiolan-3-yl]-6-(3-methoxyphenyl)-2-methylimidazo[4,5-c]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C[NH+](C)[C@H](CNC1=C2C(=CN(C2=NC=N1)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C5=CC=CO5

DOS

IR

Vibrations