Geometry & MOs

Info

ID:

322540

PubChem CID:

126670438

Reduced:

SO2N7C26H31 (1)

Stoich.:

AB2C7D26E31 (1)

Weight, g/mol:

528.296122

ΔHf, kcal/mol:

91.99

Dipole, Da:

6.24

IP(EA), eV:

 -7.66(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]-4-propan-2-ylphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)CCN(C)C1=CC(=C(C=C1NS(=O)C=C)NC2=NC=CC(=N2)N3C=CC4=CC=CC=C43)OC

DOS

IR

Vibrations