Geometry & MOs

Info

ID:	87804
PubChem CID:	49897519
Reduced:	ClSN3O7C26H26 (1)
Stoich.:	ABC3D7E26F26 (1)
Weight, g/mol:	516.03546
ΔH_f, kcal/mol:	-227.11
Dipole, Da:	6.6
IP(EA), eV:	-8.88(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-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=C\3/C(=O)N(C(=O)S3)CC(=O)N4CCOCC4)OC)Cl

DOS

IR

Vibrations