Geometry & MOs

Info

ID:	390649
PubChem CID:	135000143
Reduced:	ClNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	337.20755
ΔH_f, kcal/mol:	-34.67
Dipole, Da:	4.85
IP(EA), eV:	-9.59(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-N-[(1S,2R)-2-cyclohexyl-2-hydroxy-1-(4-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC(C)CCC[C@@H](C[N+](=O)[O-])C1=CC=C(C=C1)Cl

DOS

IR

Vibrations