Geometry & MOs

Info

ID:	171119
PubChem CID:	75329865
Reduced:	SN2O7H20C26 (1)
Stoich.:	AB2C7D20E26 (1)
Weight, g/mol:	470.02998
ΔH_f, kcal/mol:	-114.4
Dipole, Da:	6.82
IP(EA), eV:	-8.86(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromophenyl)methyl]-5-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=O)S3)CC4=CC=CC=C4[N+](=O)[O-])OC

DOS

IR

Vibrations