Geometry & MOs

Info

ID:	88496
PubChem CID:	49903864
Reduced:	NSBr2O4H25C29 (1)
Stoich.:	ABC2D4E25F29 (1)
Weight, g/mol:	556.96993
ΔH_f, kcal/mol:	-61.52
Dipole, Da:	3.54
IP(EA), eV:	-8.73(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)Br)CC=C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Br

DOS

IR

Vibrations