Geometry & MOs

Info

ID:	383034
PubChem CID:	134974526
Reduced:	NSO4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	375.150429
ΔH_f, kcal/mol:	-140.84
Dipole, Da:	8.71
IP(EA), eV:	-9.57(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2S,3R)-2-hydroxy-3-phenylmethoxycyclohexyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2[C@H](CCC[C@H]2OCC3=CC=CC=C3)O

DOS

IR

Vibrations