Geometry & MOs

Info

ID:	164901
PubChem CID:	74468556
Reduced:	SN3O3C22H23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	368.233802
ΔH_f, kcal/mol:	-25.35
Dipole, Da:	3.29
IP(EA), eV:	-8.65(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[2-(4-methylanilino)-2-oxoethyl]-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=NC(=O)C3C4=C(CCC4)SC3=N2)C5=CC6=C(C=C5)OCCO6

DOS

IR

Vibrations