Geometry & MOs

Info

ID:	429296
PubChem CID:	135169265
Reduced:	FIOSN4H10C17 (1)
Stoich.:	ABCDE4F10G17 (1)
Weight, g/mol:	463.25834
ΔH_f, kcal/mol:	35.3
Dipole, Da:	2.13
IP(EA), eV:	-9.27(-2.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-1-N-(1-cyclohexylpropyl)-2-N-methyl-4-oxo-2-N-pyridin-4-yl-3-(pyridin-4-ylmethyl)azetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C1=CC2=CC(=CC(=C2N=C1)F)C3=CN(C4=C3C=C(C=N4)C(=O)N)SI

DOS

IR

Vibrations