Geometry & MOs

Info

ID:	200506
PubChem CID:	79401830
Reduced:	O2N3C13H25 (1)
Stoich.:	A2B3C13D25 (1)
Weight, g/mol:	256.124549
ΔH_f, kcal/mol:	-103.05
Dipole, Da:	3.72
IP(EA), eV:	-9.48(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-ethylpentan-3-ylamino)-3-methyl-1,2-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCC(=O)NCCC(=O)NC1CC1)CCN

DOS

IR

Vibrations