Geometry & MOs

Info

ID:	345068
PubChem CID:	127268828
Reduced:	S2N3O4C13H17 (1)
Stoich.:	A2B3C4D13E17 (1)
Weight, g/mol:	261.139865
ΔH_f, kcal/mol:	-78.21
Dipole, Da:	7.67
IP(EA), eV:	-9.63(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-(oxolan-2-ylmethylsulfonyl)azepane

Drug info:

PubChemData

Smile

C1CCOC(C1)CS(=O)(=O)NCC2=NOC(=N2)C3=CC=CS3

DOS

IR

Vibrations