Geometry & MOs

Info

ID:	56176
PubChem CID:	17422347
Reduced:	SO3N5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	444.092597
ΔH_f, kcal/mol:	-38.0
Dipole, Da:	6.58
IP(EA), eV:	-8.94(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-ylmethyl)-2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN=C(N2CC3CCCO3)SCC(=O)NC4(CCCC4)C#N

DOS

IR

Vibrations