Geometry & MOs

Info

ID:	88475
PubChem CID:	49903684
Reduced:	ClSN2O5H17C24 (1)
Stoich.:	ABC2D5E17F24 (1)
Weight, g/mol:	555.98592
ΔH_f, kcal/mol:	-37.45
Dipole, Da:	2.98
IP(EA), eV:	-9.06(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4[N+](=O)[O-])Cl

DOS

IR

Vibrations