Geometry & MOs

Info

ID:	78839
PubChem CID:	49737874
Reduced:	SO2N5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	411.136511
ΔH_f, kcal/mol:	8.21
Dipole, Da:	5.95
IP(EA), eV:	-8.25(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[2-[(4-methylpyridin-2-yl)amino]-1,3-thiazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NC2=NC(=CS2)CC(=O)N3CCN(CC3)C4=CC=CC=C4OC

DOS

IR

Vibrations