Geometry & MOs

Info

ID:

84642

PubChem CID:

49869013

Reduced:

O3N4C19H23 (2)

Stoich.:

A3B4C19D23 (2)

Weight, g/mol:

543.268011

ΔHf, kcal/mol:

-114.31

Dipole, Da:

9.47

IP(EA), eV:

 -8.88(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-4-[bis(trideuteriomethyl)amino]-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-(1,1,2,2,2-pentadeuterioethoxy)quinazolin-6-yl]but-2-enamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@@H]1C2=NC=C(N2)C#CC3=CC=C(C=C3)C#CC4=CN=C(N4)[C@@H]5CCCN5C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations