Geometry & MOs

Info

ID:	88212
PubChem CID:	49902301
Reduced:	BrSN2O3H19C21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	729.85762
ΔH_f, kcal/mol:	-53.37
Dipole, Da:	5.28
IP(EA), eV:	-8.59(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-iodo-6-methoxyphenyl] 4-nitrobenzenesulfonate

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations