Geometry & MOs

Info

ID:

430709

PubChem CID:

135170775

Reduced:

O4N6H26C39 (1)

Stoich.:

A4B6C26D39 (1)

Weight, g/mol:

814.301602

ΔHf, kcal/mol:

53.89

Dipole, Da:

4.0

IP(EA), eV:

 -9.1(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-methyl-N-[4-[4-oxo-3-[5-[5-[4-oxo-3-(3-phenylmethoxyphenyl)quinazolin-2-yl]pyridin-3-yl]pyridin-3-yl]quinazolin-2-yl]phenyl]azetidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CN=CC=C4)OC5=CC6=C(C=C5)N=C(N(C6=O)C7=CC(=CC=C7)O)C8=CN=CC=C8

DOS

IR

Vibrations