Geometry & MOs

Info

ID:

334753

PubChem CID:

127253428

Reduced:

N5O6C28H33 (1)

Stoich.:

A5B6C28D33 (1)

Weight, g/mol:

565.20603

ΔHf, kcal/mol:

-142.82

Dipole, Da:

4.16

IP(EA), eV:

 -8.55(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)NC4=CC=NN4)OC)OC)OC

DOS

IR

Vibrations