Geometry & MOs

Info

ID:	273741
PubChem CID:	103799500
Reduced:	ClSN3O3C13H16 (1)
Stoich.:	ABC3D3E13F16 (1)
Weight, g/mol:	298.116486
ΔH_f, kcal/mol:	-66.35
Dipole, Da:	3.99
IP(EA), eV:	-9.06(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-2-(3-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)/C=C/C1=C(N=C2N1C=CS2)Cl

DOS

IR

Vibrations