Geometry & MOs

Info

ID:	35441
PubChem CID:	7979876
Reduced:	SN3O4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	326.103335
ΔH_f, kcal/mol:	-178.95
Dipole, Da:	4.78
IP(EA), eV:	-9.4(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)[C@@H](C(C)C)NC(=O)C

DOS

IR

Vibrations