Geometry & MOs

Info

ID:	68089
PubChem CID:	46507738
Reduced:	OSN6C34H36 (1)
Stoich.:	ABC6D34E36 (1)
Weight, g/mol:	425.104542
ΔH_f, kcal/mol:	63.24
Dipole, Da:	3.81
IP(EA), eV:	-8.4(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(benzenesulfonyl)pyridin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NC=NC5=C4SC6=NC(=CC(=C56)C7=CC=CC=C7)C

DOS

IR

Vibrations