Geometry & MOs

Info

ID:	140099
PubChem CID:	52646702
Reduced:	NO2S2H21C22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	331.135448
ΔH_f, kcal/mol:	-4.23
Dipole, Da:	4.42
IP(EA), eV:	-8.59(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,5R)-2,5-dimethylmorpholin-4-yl]-[4-(2-methylsulfanylimidazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)SCC(=O)N2CCC3=C([C@H]2C4=CC=CC=C4)C=CS3

DOS

IR

Vibrations