Geometry & MOs

Info

ID:	39175
PubChem CID:	8139868
Reduced:	ClSN3O5H14C17 (1)
Stoich.:	ABC3D5E14F17 (1)
Weight, g/mol:	418.213067
ΔH_f, kcal/mol:	-84.2
Dipole, Da:	3.18
IP(EA), eV:	-9.92(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[[2-[(4-phenoxybenzoyl)amino]acetyl]amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations