Geometry & MOs

Info

ID:	177290
PubChem CID:	76161206
Reduced:	FN2O3H19C22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	397.203528
ΔH_f, kcal/mol:	-30.99
Dipole, Da:	4.99
IP(EA), eV:	-9.09(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[[4-(hydroxymethyl)-1-methylsulfonyl-3-phenylazetidin-2-yl]methyl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

COCC(=O)N1C(C(C1C#N)C2=CC=C(C=C2)C#CC3=CC=CC=C3F)CO

DOS

IR

Vibrations