Geometry & MOs

Info

ID:	357433
PubChem CID:	127294066
Reduced:	N2O5C22H22 (1)
Stoich.:	A2B5C22D22 (1)
Weight, g/mol:	398.166414
ΔH_f, kcal/mol:	-157.32
Dipole, Da:	4.95
IP(EA), eV:	-8.56(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzylsulfonylpiperidin-3-yl)-(2-phenylazetidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CN(C(=O)C1C(=O)NC2CC3=CC=CC=C3OC2)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations