Geometry & MOs

Info

ID:

190196

PubChem CID:

77966772

Reduced:

N2O4C25H29 (2)

Stoich.:

A2B4C25D29 (2)

Weight, g/mol:

506.198777

ΔHf, kcal/mol:

-218.82

Dipole, Da:

10.49

IP(EA), eV:

 -9.36(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[6-methyl-4-[2-[(2,4,6-trimethylphenyl)sulfonylamino]propylamino]indazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NC(=O)C3=CC=C(C=C3)CN(CC4=CC=CC=C4)CC5=CC=CC=C5)C)C)OC(=O)N)C)C)O)OC

DOS

IR

Vibrations