Geometry & MOs

Info

ID:	429308
PubChem CID:	135169277
Reduced:	ISN3H10C16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	508.203445
ΔH_f, kcal/mol:	121.78
Dipole, Da:	3.94
IP(EA), eV:	-9.07(-2.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(1R)-1-(2,3-difluorophenyl)propyl]-2-N-methyl-4-oxo-2-N-pyridin-4-ylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)C3=CN(C4=C3C=CC=N4)SI)N=C1

DOS

IR

Vibrations