Geometry & MOs

Info

ID:

169970

PubChem CID:

75175668

Reduced:

SN3O5C21H29 (1)

Stoich.:

AB3C5D21E29 (1)

Weight, g/mol:

501.193357

ΔHf, kcal/mol:

-138.21

Dipole, Da:

3.21

IP(EA), eV:

 -8.92(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[furan-2-ylmethyl-[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

CC1=C(SC2=NC(=NC(=O)C12)CN(CC(COCC=C)O)C(C)C)C(=O)OCC=C

DOS

IR

Vibrations