Geometry & MOs

Info

ID:

297204

PubChem CID:

117612877

Reduced:

O5N7C32H37 (1)

Stoich.:

A5B7C32D37 (1)

Weight, g/mol:

570.226054

ΔHf, kcal/mol:

-90.19

Dipole, Da:

12.52

IP(EA), eV:

 -8.74(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S,5S)-5-(cyanomethyl)-5-[3-[4-[ethyl(methyl)sulfamoyl]anilino]-4-oxo-2H-pyrazolo[4,3-c]pyridin-1-yl]oxane-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CN(CCO1)C2=NC3=C(C=C2)C=C(C=C3)NC4=C5C(=CC=NC5=O)N(N4)[C@@]6(CC[C@H](OC6)C(=O)OC(C)(C)C)CC#N

DOS

IR

Vibrations