Geometry & MOs

Info

ID:	269145
PubChem CID:	103616097
Reduced:	SN3O3C11H25 (1)
Stoich.:	AB3C3D11E25 (1)
Weight, g/mol:	291.161663
ΔH_f, kcal/mol:	-159.55
Dipole, Da:	5.3
IP(EA), eV:	-9.66(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[2-(azepan-1-yl)-2-oxoethyl]amino]propyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCCC(C)NC(=O)CNCCCNS(=O)(=O)C

DOS

IR

Vibrations