Geometry & MOs

Info

ID:

315759

PubChem CID:

126628682

Reduced:

SO3N4H28C33 (1)

Stoich.:

AB3C4D28E33 (1)

Weight, g/mol:

651.230411

ΔHf, kcal/mol:

39.3

Dipole, Da:

7.56

IP(EA), eV:

 -8.74(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(2-anilino-1,3-thiazol-4-yl)-2-[(4-benzylphenoxy)methyl]-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=NC=CS4)COC5=CC=C(C=C5)CC6=CC=CC=C6

DOS

IR

Vibrations