Geometry & MOs

Info

ID:	282533
PubChem CID:	103929902
Reduced:	OSN3C12H21 (1)
Stoich.:	ABC3D12E21 (1)
Weight, g/mol:	241.124883
ΔH_f, kcal/mol:	-47.76
Dipole, Da:	2.55
IP(EA), eV:	-9.18(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-3,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CCNC(=O)[C@@H](C(C)(C)C)N

DOS

IR

Vibrations