Geometry & MOs

Info

ID:	88328
PubChem CID:	49902950
Reduced:	BrSN2O5H13C21 (1)
Stoich.:	ABC2D5E13F21 (1)
Weight, g/mol:	428.155849
ΔH_f, kcal/mol:	-23.5
Dipole, Da:	3.07
IP(EA), eV:	-9.26(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations