Geometry & MOs

Info

ID:	88336
PubChem CID:	49902972
Reduced:	BrClN2S2O6H18C25 (1)
Stoich.:	ABC2D2E6F18G25 (1)
Weight, g/mol:	427.98303
ΔH_f, kcal/mol:	-167.14
Dipole, Da:	12.78
IP(EA), eV:	-9.1(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=CC=C4)Cl)Br

DOS

IR

Vibrations