Geometry & MOs

Info

ID:	345073
PubChem CID:	127268833
Reduced:	ClN2S2O5C14H19 (1)
Stoich.:	AB2C2D5E14F19 (1)
Weight, g/mol:	261.139865
ΔH_f, kcal/mol:	-207.53
Dipole, Da:	5.45
IP(EA), eV:	-8.85(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexylmethylsulfonyl)-1,4-oxazepane

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CNS(=O)(=O)C2CCS(=O)(=O)CC2)Cl

DOS

IR

Vibrations