Geometry & MOs

Info

ID:

173637

PubChem CID:

75664083

Reduced:

ClO2S2N4H12C16 (1)

Stoich.:

AB2C2D4E12F16 (1)

Weight, g/mol:

362.063309

ΔHf, kcal/mol:

44.9

Dipole, Da:

0.84

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.135298

Charge, e:

 -1

Chem-info

IUPAC name:

2-ethylsulfanyl-6-methoxycarbonyl-7-methyl-5-thiophen-2-yl-5,8-dihydropyrido[2,3-d]pyrimidin-4-olate

Drug info:

PubChemData

Smile

C1=CSC(=C1)C=NN=C2N=C(C(S2)CC(=O)NC3=CC=C(C=C3)Cl)[O-]

DOS

IR

Vibrations