Geometry & MOs

Info

ID:	88362
PubChem CID:	49903059
Reduced:	BrClNSO3H17C24 (1)
Stoich.:	ABCDE3F17G24 (1)
Weight, g/mol:	527.00382
ΔH_f, kcal/mol:	-38.17
Dipole, Da:	5.81
IP(EA), eV:	-9.11(-1.14)
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-ethoxyphenyl] furan-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC2=CC=CC=C2/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br)Cl

DOS

IR

Vibrations