Geometry & MOs

Info

ID:

144483

PubChem CID:

53375905

Reduced:

S2N4O6C33H40 (1)

Stoich.:

A2B4C6D33E40 (1)

Weight, g/mol:

636.207627

ΔHf, kcal/mol:

-211.64

Dipole, Da:

6.17

IP(EA), eV:

 -8.69(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[3-[(Z)-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)OCCCCCOC3=CC=CC(=C3)C4C(=C(NC(=S)N4)C)C(=O)OCC)C

DOS

IR

Vibrations