Geometry & MOs

Info

ID:	125592
PubChem CID:	50929071
Reduced:	FON5H16C17 (1)
Stoich.:	ABC5D16E17 (1)
Weight, g/mol:	422.141262
ΔH_f, kcal/mol:	17.23
Dipole, Da:	3.39
IP(EA), eV:	-8.65(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(furan-2-ylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)C2=NNN=C2NC3=CC=CC=C3F

DOS

IR

Vibrations