Geometry & MOs

Info

ID:

167689

PubChem CID:

74858805

Reduced:

SN3O3C25H31 (1)

Stoich.:

AB3C3D25E31 (1)

Weight, g/mol:

525.229742

ΔHf, kcal/mol:

-70.36

Dipole, Da:

1.69

IP(EA), eV:

 -8.35(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[benzyl-(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]-5-methyl-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCCN(CC1NC2C(C(=CS2)C3=CC=C(C=C3)OC)C(=O)N1)CC(C4=CC=CC=C4)O

DOS

IR

Vibrations