Geometry & MOs

Info

ID:	429218
PubChem CID:	135169122
Reduced:	N2F3O3C10H17 (1)
Stoich.:	A2B3C3D10E17 (1)
Weight, g/mol:	457.21139
ΔH_f, kcal/mol:	-252.88
Dipole, Da:	3.72
IP(EA), eV:	-10.27(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-N-methyl-4-oxo-2-N-phenyl-3-(pyridin-4-ylmethyl)-1-N-[(1R)-1-pyridin-3-ylpropyl]azetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H](C(F)(F)F)NC(=O)NCOO

DOS

IR

Vibrations