Geometry & MOs

Info

ID:

169971

PubChem CID:

75175727

Reduced:

SN3O6C25H31 (1)

Stoich.:

AB3C6D25E31 (1)

Weight, g/mol:

523.214092

ΔHf, kcal/mol:

-185.5

Dipole, Da:

6.19

IP(EA), eV:

 -8.69(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(3,4-dimethylphenyl)-2-[[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-(furan-2-ylmethyl)amino]methyl]-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(CN(CC2NC3C(C(=C(S3)C(=O)OC)C)C(=O)N2)CC4=CC=CO4)O

DOS

IR

Vibrations