Geometry & MOs

Info

ID:	379687
PubChem CID:	134457180
Reduced:	NOSC7H15 (1)
Stoich.:	ABCD7E15 (1)
Weight, g/mol:	532.248584
ΔH_f, kcal/mol:	-57.62
Dipole, Da:	4.04
IP(EA), eV:	-8.38(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxy-4-methylcyclohexyl)benzimidazol-2-yl]-1-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CSN1CCCC(C1)CO

DOS

IR

Vibrations