Geometry & MOs

Info

ID:	284003
PubChem CID:	104025658
Reduced:	ClNSO3C11H14 (1)
Stoich.:	ABCD3E11F14 (1)
Weight, g/mol:	343.010363
ΔH_f, kcal/mol:	-106.61
Dipole, Da:	5.01
IP(EA), eV:	-9.18(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(chloromethyl)thiophen-2-yl]sulfonyl-3,4-dihydro-2H-1,5-benzoxazepine

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C2OC1)S(=O)(=O)CCCl

DOS

IR

Vibrations