Geometry & MOs

Info

ID:

315760

PubChem CID:

126628684

Reduced:

SO3N5H33C39 (1)

Stoich.:

AB3C5D33E39 (1)

Weight, g/mol:

547.247107

ΔHf, kcal/mol:

59.24

Dipole, Da:

5.43

IP(EA), eV:

 -8.45(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4-benzylphenoxy)methyl]-8-(1-ethoxyethenyl)-3-[(4-methoxy-2-methylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)CN2C(=NC3=C(C2=O)C=CN=C3C4=CSC(=N4)NC5=CC=CC=C5)COC6=CC=C(C=C6)CC7=CC=CC=C7

DOS

IR

Vibrations