Geometry & MOs

Info

ID:

322526

PubChem CID:

126670372

Reduced:

SN5O14C29H53 (1)

Stoich.:

AB5C14D29E53 (1)

Weight, g/mol:

503.244501

ΔHf, kcal/mol:

-548.33

Dipole, Da:

5.44

IP(EA), eV:

 -8.63(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(4-fluoroindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)OC1C(C(C(C(O1)C(=O)NCCOCCOCCOCCN=[N+]=[N-])OC2C(C3C(C(O2)COCCS)OC3(C)O)NC(C)O)O)O

DOS

IR

Vibrations