Geometry & MOs

Info

ID:	35380
PubChem CID:	7979787
Reduced:	SN2O3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	300.087685
ΔH_f, kcal/mol:	-99.21
Dipole, Da:	5.82
IP(EA), eV:	-9.09(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide

Drug info:

PubChemData

Smile

CCC[C@H](C1=CC=CC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations