Geometry & MOs

Info

ID:	242937
PubChem CID:	99214382
Reduced:	OSN4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	427.156577
ΔH_f, kcal/mol:	36.21
Dipole, Da:	3.99
IP(EA), eV:	-8.9(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CN2CCN(CC2)C(=O)C3=C4C=CC=NC4=CC=C3

DOS

IR

Vibrations