Geometry & MOs

Info

ID:	170856
PubChem CID:	75286684
Reduced:	SO3N4C16H16 (1)
Stoich.:	AB3C4D16E16 (1)
Weight, g/mol:	235.077933
ΔH_f, kcal/mol:	-34.63
Dipole, Da:	5.11
IP(EA), eV:	-8.62(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-6-methyl-2-sulfanylidenepyrrolo[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=NC(=NC(=O)C2N1)SCC(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations