Geometry & MOs

Info

ID:	39344
PubChem CID:	8140384
Reduced:	OS2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	363.147545
ΔH_f, kcal/mol:	9.63
Dipole, Da:	3.16
IP(EA), eV:	-8.63(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[(3-chloro-4,5-dimethoxybenzoyl)amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)NCC3=CC=CC=C3CN(C)C)C

DOS

IR

Vibrations