Geometry & MOs

Info

ID:	138296
PubChem CID:	52342335
Reduced:	SN3O4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	311.152631
ΔH_f, kcal/mol:	-51.3
Dipole, Da:	9.35
IP(EA), eV:	-9.02(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-chlorophenyl)methyl-ethyl-(3-morpholin-4-yl-3-oxopropyl)azanium

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NCC2=CC=CC=C2S(=O)(=O)N(C)C)[N+](=O)[O-]

DOS

IR

Vibrations