Geometry & MOs

Info

ID:	171125
PubChem CID:	75331104
Reduced:	ClSBr2N2O4H19C26 (1)
Stoich.:	ABC2D2E4F19G26 (1)
Weight, g/mol:	524.00416
ΔH_f, kcal/mol:	-80.66
Dipole, Da:	2.84
IP(EA), eV:	-8.95(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromophenyl)methyl]-5-[[3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C=C3C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br)Br)Cl

DOS

IR

Vibrations