Geometry & MOs

Info

ID:	88141
PubChem CID:	49901831
Reduced:	BrNS2O3H16C22 (1)
Stoich.:	ABC2D3E16F22 (1)
Weight, g/mol:	373.97246
ΔH_f, kcal/mol:	-26.3
Dipole, Da:	6.3
IP(EA), eV:	-8.86(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations