Geometry & MOs

Info

ID:

316015

PubChem CID:

126629666

Reduced:

NH11C16 (3)

Stoich.:

AB11C16 (3)

Weight, g/mol:

592.234701

ΔHf, kcal/mol:

221.64

Dipole, Da:

3.82

IP(EA), eV:

 -7.72(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[[5-chloro-4-[methyl-(1-methylsulfonylazetidin-3-yl)amino]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)N4C5=CC=CC=C5C6=CC=CC=C64)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1

DOS

IR

Vibrations