Geometry & MOs

Info

ID:	159093
PubChem CID:	57260146
Reduced:	OH5C6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	596.179698
ΔH_f, kcal/mol:	-11.55
Dipole, Da:	2.76
IP(EA), eV:	-9.06(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(3R)-4-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-methylsulfonylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/CC(=C=O)C=O

DOS

IR

Vibrations