Geometry & MOs

Info

ID:	39114
PubChem CID:	8139714
Reduced:	ClOSN2C22H23 (1)
Stoich.:	ABCD2E22F23 (1)
Weight, g/mol:	359.197082
ΔH_f, kcal/mol:	15.54
Dipole, Da:	4.47
IP(EA), eV:	-8.5(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[(2,3,4-trimethoxybenzoyl)amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

DOS

IR

Vibrations