Geometry & MOs

Info

ID:	163733
PubChem CID:	58874716
Reduced:	SN4O4C36H48 (1)
Stoich.:	AB4C4D36E48 (1)
Weight, g/mol:	341.066363
ΔH_f, kcal/mol:	-129.97
Dipole, Da:	3.88
IP(EA), eV:	-8.03(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]pyrrole-2,5-dione

Drug info:

PubChemData

Smile

CC(C)CCN(C)C1=C(C=C(C=C1)C(=O)NC(CC(=O)NS(=O)(=O)C2=CC=CC=C2)C3CCCCC3)N(C)CC4=CC=CC=C4

DOS

IR

Vibrations