Geometry & MOs

Info

ID:

433651

PubChem CID:

135173791

Reduced:

SN4O6C23H24 (1)

Stoich.:

AB4C6D23E24 (1)

Weight, g/mol:

663.254708

ΔHf, kcal/mol:

-167.81

Dipole, Da:

6.31

IP(EA), eV:

 -8.56(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]-2-methylphenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC=C1NC(=O)NC2=CC(=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)OC

DOS

IR

Vibrations