Geometry & MOs

Info

ID:	172787
PubChem CID:	75552716
Reduced:	ClSO3N4C23H25 (1)
Stoich.:	ABC3D4E23F25 (1)
Weight, g/mol:	394.122538
ΔH_f, kcal/mol:	-106.89
Dipole, Da:	5.42
IP(EA), eV:	-8.82(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-(2,5-dimethylthiophen-3-yl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[2,3-d]pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C2CC(=O)NC3C2C(=O)NC(N3)SCC4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations