Geometry & MOs

Info

ID:	194975
PubChem CID:	78615367
Reduced:	SO2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	391.202168
ΔH_f, kcal/mol:	48.44
Dipole, Da:	8.34
IP(EA), eV:	-8.63(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(2-methoxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)C(=CC3=CC=C(C=C3)N4CCOCC4)C#N)C

DOS

IR

Vibrations