Geometry & MOs

Info

ID:	244329
PubChem CID:	99344056
Reduced:	ClO2N4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	444.089226
ΔH_f, kcal/mol:	9.25
Dipole, Da:	0.65
IP(EA), eV:	-8.9(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,10,10-trioxo-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]thioxanthene-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CN(N=C1)CC2=CC=NC=C2)OC3=CC=C(C=C3)Cl

DOS

IR

Vibrations