Geometry & MOs

Info

ID:	87258
PubChem CID:	49893480
Reduced:	BrSN2O5H21C26 (1)
Stoich.:	ABC2D5E21F26 (1)
Weight, g/mol:	396.150764
ΔH_f, kcal/mol:	-105.28
Dipole, Da:	10.84
IP(EA), eV:	-8.64(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC2=CC=C(C=C2)Br)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations