Geometry & MOs

Info

ID:	290930
PubChem CID:	111640424
Reduced:	ClSO2N4C21H27 (1)
Stoich.:	ABC2D4E21F27 (1)
Weight, g/mol:	477.14884
ΔH_f, kcal/mol:	-14.08
Dipole, Da:	5.13
IP(EA), eV:	-9.05(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]-2-methylpropanoate;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1(CC1)C2=CC(=CC=C2)Cl)NCCC3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations