Geometry & MOs

Info

ID:	36459
PubChem CID:	8007092
Reduced:	SN3O3H15C17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	299.175953
ΔH_f, kcal/mol:	-2.45
Dipole, Da:	4.72
IP(EA), eV:	-8.97(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-methoxyphenyl)methyl-methyl-[2-(3-methylanilino)-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations