Geometry & MOs

Info

ID:	78724
PubChem CID:	49703936
Reduced:	S2O4N5H21C23 (1)
Stoich.:	A2B4C5D21E23 (1)
Weight, g/mol:	420.179755
ΔH_f, kcal/mol:	-39.57
Dipole, Da:	11.99
IP(EA), eV:	-8.56(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]-6-phenylpyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2)N3C(=O)C=CC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations