Geometry & MOs

Info

ID:	277942
PubChem CID:	103832073
Reduced:	ON5C10H19 (1)
Stoich.:	AB5C10D19 (1)
Weight, g/mol:	255.140533
ΔH_f, kcal/mol:	-16.82
Dipole, Da:	5.49
IP(EA), eV:	-9.92(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N(C)CC1=NC=NN1)N

DOS

IR

Vibrations