Geometry & MOs

Info

ID:	333822
PubChem CID:	127252374
Reduced:	FSO2N3C15H18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	330.113506
ΔH_f, kcal/mol:	-71.81
Dipole, Da:	5.96
IP(EA), eV:	-9.66(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone

Drug info:

PubChemData

Smile

CC1(CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C3=CC=NN3

DOS

IR

Vibrations