Geometry & MOs

Info

ID:	88280
PubChem CID:	49902727
Reduced:	NSBr2O4H21C26 (1)
Stoich.:	ABC2D4E21F26 (1)
Weight, g/mol:	502.95937
ΔH_f, kcal/mol:	-68.9
Dipole, Da:	6.48
IP(EA), eV:	-9.13(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br)OC

DOS

IR

Vibrations