Geometry & MOs

Info

ID:	135330
PubChem CID:	51852339
Reduced:	N2S2O4H14C19 (1)
Stoich.:	A2B2C4D14E19 (1)
Weight, g/mol:	369.230394
ΔH_f, kcal/mol:	-64.58
Dipole, Da:	3.45
IP(EA), eV:	-8.67(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[2-methoxy-4-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]phenoxy]-1-phenylethanol

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCN1C2=CC=CC=C2SC1=S)N3C4=CC=CC=C4C(=O)C3=O

DOS

IR

Vibrations