Geometry & MOs

Info

ID:	303366
PubChem CID:	124489578
Reduced:	SN3O4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	413.104542
ΔH_f, kcal/mol:	-137.58
Dipole, Da:	5.42
IP(EA), eV:	-8.46(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-2-[(4R)-4-(4-methylsulfanylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN1C2=C([C@H](NC1=O)C3=CC=C(C=C3)SC)C(=O)OC2

DOS

IR

Vibrations