Geometry & MOs

Info

ID:	127228
PubChem CID:	50995290
Reduced:	NF3O3C15H18 (1)
Stoich.:	AB3C3D15E18 (1)
Weight, g/mol:	423.172896
ΔH_f, kcal/mol:	-279.82
Dipole, Da:	2.13
IP(EA), eV:	-9.48(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCOCC1)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations