Geometry & MOs

Info

ID:	199452
PubChem CID:	79247653
Reduced:	ON4C11H22 (1)
Stoich.:	AB4C11D22 (1)
Weight, g/mol:	265.124883
ΔH_f, kcal/mol:	-31.17
Dipole, Da:	2.15
IP(EA), eV:	-8.09(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1N)NC(CO)C(C)C)C

DOS

IR

Vibrations