Geometry & MOs

Info

ID:	213853
PubChem CID:	81065484
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	313.146013
ΔH_f, kcal/mol:	-76.4
Dipole, Da:	2.03
IP(EA), eV:	-9.26(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC1=CC(=NC=N1)NCC(C)CC(=O)O

DOS

IR

Vibrations