Geometry & MOs

Info

ID:	226148
PubChem CID:	87325904
Reduced:	ClF3S3N5O6C47H55 (1)
Stoich.:	AB3C3D5E6F47G55 (1)
Weight, g/mol:	244.015393
ΔH_f, kcal/mol:	-334.46
Dipole, Da:	11.96
IP(EA), eV:	-8.63(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-pyrrole-2,3-dione;1H-pyrrole-2-sulfonic acid

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCCC6)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations