Geometry & MOs

Info

ID:	9619
PubChem CID:	91578
Reduced:	S5N6O16C24H48 (1)
Stoich.:	A5B6C16D24E48 (1)
Weight, g/mol:	836.173035
ΔH_f, kcal/mol:	-682.62
Dipole, Da:	4.96
IP(EA), eV:	-7.64(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;sulfuric acid

Drug info:

PubChemData

Smile

CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C.CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O

DOS

IR

Vibrations