Geometry & MOs

Info

ID:	427317
PubChem CID:	135157006
Reduced:	SN2O4C7H10 (1)
Stoich.:	AB2C4D7E10 (1)
Weight, g/mol:	466.18054
ΔH_f, kcal/mol:	-97.62
Dipole, Da:	5.91
IP(EA), eV:	-10.39(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-1-(2-amino-3,3-dimethylbutanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CS(=O)(=O)OCC1=NN=C(O1)C2CC2

DOS

IR

Vibrations