Geometry & MOs

Info

ID:	244442
PubChem CID:	99355545
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	434.097266
ΔH_f, kcal/mol:	-21.59
Dipole, Da:	6.54
IP(EA), eV:	-8.44(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(6-imidazol-1-ylpyridazin-3-yl)methanone

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1)OC)OC)NC(=O)C2=CC=C(C=C2)N3C=NN=C3

DOS

IR

Vibrations