Geometry & MOs

Info

ID:

169972

PubChem CID:

75175755

Reduced:

SN3O5C28H33 (1)

Stoich.:

AB3C5D28E33 (1)

Weight, g/mol:

455.164555

ΔHf, kcal/mol:

-115.06

Dipole, Da:

4.47

IP(EA), eV:

 -8.36(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(3-chlorophenyl)-2-[[(2-hydroxy-3-methoxypropyl)-(3-methoxypropyl)amino]methyl]-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CSC3C2C(=O)NC(N3)CN(CC4=CC=CO4)CC(COCC5=CC=CO5)O)C

DOS

IR

Vibrations