Geometry & MOs

Info

ID:	69812
PubChem CID:	47205435
Reduced:	SN3O3C13H17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	315.02588
ΔH_f, kcal/mol:	-82.73
Dipole, Da:	4.47
IP(EA), eV:	-9.28(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromophenyl)-(2-phenylazetidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(CN(C)C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)C#N

DOS

IR

Vibrations