Geometry & MOs

Info

ID:	88214
PubChem CID:	49902304
Reduced:	BrNSO5H22C26 (1)
Stoich.:	ABCD5E22F26 (1)
Weight, g/mol:	593.00632
ΔH_f, kcal/mol:	-102.6
Dipole, Da:	2.5
IP(EA), eV:	-8.82(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)OCCOC4=CC=CC=C4

DOS

IR

Vibrations