Geometry & MOs

Info

ID:	236871
PubChem CID:	92715196
Reduced:	SN4O5C21H36 (1)
Stoich.:	AB4C5D21E36 (1)
Weight, g/mol:	403.18173
ΔH_f, kcal/mol:	-238.57
Dipole, Da:	1.3
IP(EA), eV:	-9.1(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NCCC3=CCCCC3

DOS

IR

Vibrations