Geometry & MOs

Info

ID:	39869
PubChem CID:	8142605
Reduced:	FSN3O3C21H27 (1)
Stoich.:	ABC3D3E21F27 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	-108.89
Dipole, Da:	5.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774556
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methylideneamino]-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[NH+](C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations