Geometry & MOs

Info

ID:	444809
PubChem CID:	135263628
Reduced:	ClSO3N4C22H31 (1)
Stoich.:	ABC3D4E22F31 (1)
Weight, g/mol:	430.203862
ΔH_f, kcal/mol:	-146.13
Dipole, Da:	7.61
IP(EA), eV:	-9.33(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@H]3C[C@H](CN3C(=O)C(C(C)(C)C)N)O.Cl

DOS

IR

Vibrations