Geometry & MOs

Info

ID:

297205

PubChem CID:

117612915

Reduced:

SN6O6C27H34 (1)

Stoich.:

AB6C6D27E34 (1)

Weight, g/mol:

490.232853

ΔHf, kcal/mol:

-148.48

Dipole, Da:

9.56

IP(EA), eV:

 -9.25(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3S)-3-[3-[4-[(3R)-3-methoxypyrrolidine-1-carbonyl]-3-methylanilino]-4-oxo-2H-pyrazolo[4,3-c]pyridin-1-yl]oxan-3-yl]acetonitrile

Drug info:

PubChemData

Smile

CCN(C)S(=O)(=O)C1=CC=C(C=C1)NC2=C3C(=CC=NC3=O)N(N2)[C@@]4(CC[C@H](OC4)C(=O)OC(C)(C)C)CC#N

DOS

IR

Vibrations