Geometry & MOs

Info

ID:	61827
PubChem CID:	26713552
Reduced:	SO4N6C18H22 (1)
Stoich.:	AB4C6D18E22 (1)
Weight, g/mol:	413.195071
ΔH_f, kcal/mol:	-103.52
Dipole, Da:	6.42
IP(EA), eV:	-9.24(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

CCCC1=C(SC(=C1)C(=O)NNC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C)C

DOS

IR

Vibrations