Geometry & MOs

Info

ID:

169968

PubChem CID:

75175585

Reduced:

ClSN3O4C26H30 (1)

Stoich.:

ABC3D4E26F30 (1)

Weight, g/mol:

475.214092

ΔHf, kcal/mol:

-89.8

Dipole, Da:

6.55

IP(EA), eV:

 -8.2(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=CSC3C2C(=O)NC(N3)CN(CC=C)CC(COC4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations