Geometry & MOs

Info

ID:

322615

PubChem CID:

126670657

Reduced:

F2O2N3H13C15 (2)

Stoich.:

A2B2C3D13E15 (2)

Weight, g/mol:

613.312501

ΔHf, kcal/mol:

-237.14

Dipole, Da:

8.28

IP(EA), eV:

 -9.14(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]pyrimidin-4-yl]-3-(3-methylbut-2-enyl)-2-oxobenzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4[C@@H](C[C@@]5(C4C5)C)C(=O)NC6=C(C(=CC=C6)OC(F)(F)F)F

DOS

IR

Vibrations