Geometry & MOs

Info

ID:	345978
PubChem CID:	127270295
Reduced:	S2O3N4C15H24 (1)
Stoich.:	A2B3C4D15E24 (1)
Weight, g/mol:	389.180684
ΔH_f, kcal/mol:	-100.28
Dipole, Da:	5.36
IP(EA), eV:	-8.8(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]azepane-1-sulfonamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)S(=O)(=O)NC2CCC(CC2)C(=O)N3CCSCC3

DOS

IR

Vibrations