Geometry & MOs

Info

ID:	177240
PubChem CID:	76150008
Reduced:	SN2O4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	385.186238
ΔH_f, kcal/mol:	-104.82
Dipole, Da:	2.71
IP(EA), eV:	-8.44(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-7-propyl-6-[3-(triazol-1-yl)pyrrolidine-1-carbonyl]pyrrolo[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC(CNC(=O)C(=O)NC1=CC(=CC=C1)SC)C2=CC=CO2

DOS

IR

Vibrations