Geometry & MOs

Info

ID:	43311
PubChem CID:	10321106
Reduced:	FCl2O2N3H14C22 (1)
Stoich.:	AB2C2D3E14F22 (1)
Weight, g/mol:	441.03579
ΔH_f, kcal/mol:	-28.54
Dipole, Da:	4.24
IP(EA), eV:	-8.91(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-[2-(3-acetamidophenyl)-2-oxoethyl]-2-amino-1,3-thiazol-3-ium-4-yl]acetate;bromide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C(N2C=C1)CC3=CC=C(C=C3)F)C(=O)C(=O)NC4=C(C=CN=C4Cl)Cl

DOS

IR

Vibrations