Geometry & MOs

Info

ID:	3569
PubChem CID:	9803
Reduced:	NSO8C25H37 (1)
Stoich.:	ABC8D25E37 (1)
Weight, g/mol:	511.223988
ΔH_f, kcal/mol:	-226.48
Dipole, Da:	69.53
IP(EA), eV:	-6.91(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylbenzenesulfonate;triethyl-[2-(2,3,4-trimethoxybenzoyl)oxyethyl]azanium

Drug info:

PubChemData

Smile

CC[N+](CC)(CC)CCOC(=O)C1=C(C(=C(C=C1)OC)OC)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

DOS

IR

Vibrations