Geometry & MOs

Info

ID:	134270
PubChem CID:	51671655
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	305.053078
ΔH_f, kcal/mol:	-140.56
Dipole, Da:	4.68
IP(EA), eV:	-9.43(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2-amino-1,3-thiazol-3-ium-3-yl)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CCNC(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations