Geometry & MOs

Info

ID:	192573
PubChem CID:	78286882
Reduced:	SCl2N3O3C20H21 (1)
Stoich.:	AB2C3D3E20F21 (1)
Weight, g/mol:	374.171596
ΔH_f, kcal/mol:	-68.33
Dipole, Da:	5.23
IP(EA), eV:	-9.15(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-[(3-methoxyphenyl)methyl]-methylazanium

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)NC2=C(C(=CC=C2)Cl)Cl)S(=O)(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations