Geometry & MOs

Info

ID:	275135
PubChem CID:	103813995
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	227.109233
ΔH_f, kcal/mol:	-4.22
Dipole, Da:	4.57
IP(EA), eV:	-8.56(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC(C)(C)C2=NC=CS2)N

DOS

IR

Vibrations