Geometry & MOs

Info

ID:

179195

PubChem CID:

76450239

Reduced:

SO2N3H27C29 (1)

Stoich.:

AB2C3D27E29 (1)

Weight, g/mol:

619.13248

ΔHf, kcal/mol:

29.77

Dipole, Da:

4.11

IP(EA), eV:

 -8.7(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[2-[[2-(tetrazolidin-5-yl)acetyl]amino]ethyl]amino]indazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1NC2CN(C2)C(=O)C3=C(C4=CC=CC=C4S3)C5=CC=CC=C5)C(=O)C6=CC=CC=C6

DOS

IR

Vibrations