Geometry & MOs

Info

ID:	171105
PubChem CID:	75329276
Reduced:	BrSN2O5H9C15 (1)
Stoich.:	ABC2D5E9F15 (1)
Weight, g/mol:	659.92154
ΔH_f, kcal/mol:	-38.77
Dipole, Da:	5.15
IP(EA), eV:	-9.81(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[[3-[(2-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-iodo-6-methoxyphenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])SC2=O)Br

DOS

IR

Vibrations