Geometry & MOs

Info

ID:	366063
PubChem CID:	127319386
Reduced:	OSN3C15H25 (1)
Stoich.:	ABC3D15E25 (1)
Weight, g/mol:	367.192963
ΔH_f, kcal/mol:	-32.2
Dipole, Da:	4.25
IP(EA), eV:	-8.56(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)CCC2=NC(=NN2)SCC3CCOCC3

DOS

IR

Vibrations