Geometry & MOs

Info

ID:	88265
PubChem CID:	49902691
Reduced:	BrNSO4H22C26 (1)
Stoich.:	ABCD4E22F26 (1)
Weight, g/mol:	557.00632
ΔH_f, kcal/mol:	-71.53
Dipole, Da:	5.0
IP(EA), eV:	-8.68(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br)OC

DOS

IR

Vibrations