Geometry & MOs

Info

ID:

328480

PubChem CID:

126723201

Reduced:

N2O4C21H28 (1)

Stoich.:

A2B4C21D28 (1)

Weight, g/mol:

492.171038

ΔHf, kcal/mol:

-156.03

Dipole, Da:

5.01

IP(EA), eV:

 -8.91(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 1-[5-chloro-3-[6-methyl-1-[2-(trimethyl-lambda4-sulfanyl)ethoxymethyl]pyrazolo[3,4-b]pyridin-3-yl]-1,2,4-triazin-6-yl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H]1CN2CC[C@@]3(C2C[C@@H]1C(C(=O)OC)OC)C4=CC=CC=C4NC3=O

DOS

IR

Vibrations