Geometry & MOs

Info

ID:

184455

PubChem CID:

77162276

Reduced:

O5N7C33H51 (1)

Stoich.:

A5B7C33D51 (1)

Weight, g/mol:

691.122309

ΔHf, kcal/mol:

-174.86

Dipole, Da:

8.26

IP(EA), eV:

 -8.75(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-(4-methylphenyl)sulfonyl-4,6-dihydropyrazolo[4,3-c]pyridin-3-yl] N-(1-pyridin-2-ylethyl)carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)C)N(CCN(C(C)C)C(=O)OC(C)(C)C)C(=O)CNCC(=O)N(C)N3CC4CCCCC4C3

DOS

IR

Vibrations