Geometry & MOs

Info

ID:

433662

PubChem CID:

135173802

Reduced:

OCl2N8H26C32 (1)

Stoich.:

AB2C8D26E32 (1)

Weight, g/mol:

617.29368

ΔHf, kcal/mol:

134.12

Dipole, Da:

3.2

IP(EA), eV:

 -8.53(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-1-[2-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CN=C3C(=C2)C=CN=C3NC4=CC=CC(=C4Cl)C5=C(C(=CC=C5)NC6=NC=CN7C6=NC=C7C=O)Cl

DOS

IR

Vibrations