Geometry & MOs

Info

ID:	194105
PubChem CID:	78483842
Reduced:	N4C9H18 (1)
Stoich.:	A4B9C18 (1)
Weight, g/mol:	398.174967
ΔH_f, kcal/mol:	73.41
Dipole, Da:	5.18
IP(EA), eV:	-6.36(0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-(oxolan-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

CC12C[NH+]3CC(C1=NN)C[NH+](C2)C3

DOS

IR

Vibrations