Geometry & MOs

Info

ID:	137623
PubChem CID:	52236276
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	408.151907
ΔH_f, kcal/mol:	-167.11
Dipole, Da:	3.62
IP(EA), eV:	-9.29(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(4-methylcyclohexyl)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)NCC2=CC(=CC=C2)COC

DOS

IR

Vibrations