Geometry & MOs

Info

ID:	36279
PubChem CID:	8000479
Reduced:	SN3O4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	259.193614
ΔH_f, kcal/mol:	-27.67
Dipole, Da:	8.79
IP(EA), eV:	-8.8(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-ethylbenzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=S)N[C@H]1C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3)C

DOS

IR

Vibrations