Geometry & MOs

Info

ID:	238625
PubChem CID:	92763434
Reduced:	OSN2C7H12 (1)
Stoich.:	ABC2D7E12 (1)
Weight, g/mol:	462.288243
ΔH_f, kcal/mol:	-19.4
Dipole, Da:	1.79
IP(EA), eV:	-9.3(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-1-(4-cyclohexylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

C[C@@H](CNCC1=NC=CS1)O

DOS

IR

Vibrations