Geometry & MOs

Info

ID:	223374
PubChem CID:	85334932
Reduced:	O2S2N3C11H13 (1)
Stoich.:	A2B2C3D11E13 (1)
Weight, g/mol:	285.060569
ΔH_f, kcal/mol:	-22.46
Dipole, Da:	3.34
IP(EA), eV:	-8.99(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-[2-methyl-2,3-bis(sulfanyl)propyl]-4aH-pyrrolo[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(CN1C(=O)C2C(=NC1=O)C=CC=N2)(CS)S

DOS

IR

Vibrations