Geometry & MOs

Info

ID:	130245
PubChem CID:	51075366
Reduced:	SN2O3C12H24 (1)
Stoich.:	AB2C3D12E24 (1)
Weight, g/mol:	292.145678
ΔH_f, kcal/mol:	-153.89
Dipole, Da:	3.82
IP(EA), eV:	-9.55(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(azepan-1-ylsulfonylamino)butanoate

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)NC2CCCCC2

DOS

IR

Vibrations