Geometry & MOs

Info

ID:	88300
PubChem CID:	49902830
Reduced:	BrNSO2F3H11C18 (1)
Stoich.:	ABCD2E3F11G18 (1)
Weight, g/mol:	564.03546
ΔH_f, kcal/mol:	-175.66
Dipole, Da:	2.24
IP(EA), eV:	-9.73(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylanilino)-2-oxoethyl] 4-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(C=C3)C(F)(F)F)/SC2=O)Br

DOS

IR

Vibrations