Geometry & MOs

Info

ID:

144484

PubChem CID:

53375906

Reduced:

SN2O3C16H18 (2)

Stoich.:

AB2C3D16E18 (2)

Weight, g/mol:

636.207627

ΔHf, kcal/mol:

-180.49

Dipole, Da:

7.26

IP(EA), eV:

 -8.96(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[3-[(E)-4-[3-(5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]but-2-enoxy]phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)OC/C=C\COC3=CC=CC(=C3)C4C(=C(NC(=S)N4)C)C(=O)OCC)C

DOS

IR

Vibrations