Geometry & MOs

Info

ID:

80723

PubChem CID:

49836401

Reduced:

SF3N3O7C32H36 (1)

Stoich.:

AB3C3D7E32F36 (1)

Weight, g/mol:

479.172417

ΔHf, kcal/mol:

-395.24

Dipole, Da:

6.74

IP(EA), eV:

 -9.12(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

Drug info:

PubChemData

Smile

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CN(C(=O)O2)C3=CC=CC=C3C(F)(F)F)O)S(=O)(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations