Geometry & MOs

Info

ID:	245077
PubChem CID:	99437377
Reduced:	ClN3O5H18C21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	410.141262
ΔH_f, kcal/mol:	-88.72
Dipole, Da:	5.7
IP(EA), eV:	-9.23(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN([C@H](C1)C(=O)OC2=C(C=C(C=C2Cl)C#N)OC)C3=CC=CC=C3

DOS

IR

Vibrations