Geometry & MOs

Info

ID:	416919
PubChem CID:	135090790
Reduced:	ClSN2O3C16H17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	437.21147
ΔH_f, kcal/mol:	-71.24
Dipole, Da:	7.09
IP(EA), eV:	-9.82(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[(1R,2S)-2-phenylcyclohexyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NS(=O)(=O)C2=CC=CC=C2Cl)CC3=CC=NC=C3

DOS

IR

Vibrations