Geometry & MOs

Info

ID:	87374
PubChem CID:	49894339
Reduced:	NSBr2O3H13C18 (1)
Stoich.:	ABC2D3E13F18 (1)
Weight, g/mol:	453.043771
ΔH_f, kcal/mol:	-60.63
Dipole, Da:	2.17
IP(EA), eV:	-9.43(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[5-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C(=CC(=C3)Br)Br)O)/SC2=O

DOS

IR

Vibrations