Geometry & MOs

Info

ID:	69991
PubChem CID:	47206446
Reduced:	ClSN2O2C13H17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	253.106256
ΔH_f, kcal/mol:	-49.81
Dipole, Da:	4.38
IP(EA), eV:	-9.81(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[2-(3-nitrophenoxy)ethyl]amino]acetamide

Drug info:

PubChemData

Smile

CCCC(C)N(C)S(=O)(=O)C1=CC(=C(C=C1)C#N)Cl

DOS

IR

Vibrations