Geometry & MOs

Info

ID:	236887
PubChem CID:	92715447
Reduced:	NSO6C20H21 (1)
Stoich.:	ABC6D20E21 (1)
Weight, g/mol:	456.163827
ΔH_f, kcal/mol:	-177.99
Dipole, Da:	3.42
IP(EA), eV:	-9.51(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(4-chlorophenyl)-N-cyclohexyl-4-(3,5-dimethylphenyl)-5-oxothiomorpholine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCC[C@H]3C4=CC=CO4)C

DOS

IR

Vibrations