Geometry & MOs

Info

ID:	43312
PubChem CID:	10321107
Reduced:	BrSN3O4C17H20 (1)
Stoich.:	ABC3D4E17F20 (1)
Weight, g/mol:	362.117452
ΔH_f, kcal/mol:	-147.46
Dipole, Da:	5.31
IP(EA), eV:	-7.97(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC(=[N+]1CC(=O)C2=CC(=CC=C2)NC(=O)C)N.[Br-]

DOS

IR

Vibrations