Geometry & MOs

Info

ID:	213894
PubChem CID:	81065525
Reduced:	O3N4C11H18 (1)
Stoich.:	A3B4C11D18 (1)
Weight, g/mol:	314.130028
ΔH_f, kcal/mol:	-102.09
Dipole, Da:	2.34
IP(EA), eV:	-10.44(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CCN1C=NC=N1

DOS

IR

Vibrations