Geometry & MOs

Info

ID:	275246
PubChem CID:	103814790
Reduced:	OSN3C9H15 (1)
Stoich.:	ABC3D9E15 (1)
Weight, g/mol:	241.124883
ΔH_f, kcal/mol:	-23.53
Dipole, Da:	2.4
IP(EA), eV:	-9.32(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCC(=O)NCC1=NC=C(S1)C

DOS

IR

Vibrations