Geometry & MOs

Info

ID:	277937
PubChem CID:	103832048
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	227.109233
ΔH_f, kcal/mol:	-16.34
Dipole, Da:	2.81
IP(EA), eV:	-9.22(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(1,3-thiazol-4-ylmethyl)hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NCC1=CC=CC2=C1N=CC=C2)N

DOS

IR

Vibrations