Geometry & MOs

Info

ID:	331806
PubChem CID:	127250090
Reduced:	ClSO2N5C20H20 (1)
Stoich.:	ABC2D5E20F20 (1)
Weight, g/mol:	442.200491
ΔH_f, kcal/mol:	6.67
Dipole, Da:	4.02
IP(EA), eV:	-9.3(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(3-methoxyphenyl)methyl]pyridin-2-yl]morpholin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CC2=NN=C(S2)N)C3=CC=CC(=N3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations