Geometry & MOs

Info

ID:	88387
PubChem CID:	49903166
Reduced:	ClISN2O5H22C27 (1)
Stoich.:	ABCD2E5F22G27 (1)
Weight, g/mol:	540.99432
ΔH_f, kcal/mol:	-105.46
Dipole, Da:	4.69
IP(EA), eV:	-8.82(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[[3-methoxy-4-(3-nitropyridin-2-yl)oxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2I)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=CC=C4)Cl)OC

DOS

IR

Vibrations