Geometry & MOs

Info

ID:	32929
PubChem CID:	7849505
Reduced:	NSO6H17C18 (1)
Stoich.:	ABC6D17E18 (1)
Weight, g/mol:	288.159969
ΔH_f, kcal/mol:	-207.64
Dipole, Da:	7.98
IP(EA), eV:	-10.37(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-[(2,4,5-trimethoxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations