Geometry & MOs

Info

ID:	444844
PubChem CID:	135263725
Reduced:	BrO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	444.219512
ΔH_f, kcal/mol:	-70.67
Dipole, Da:	1.89
IP(EA), eV:	-8.42(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCCOCCBr

DOS

IR

Vibrations