Geometry & MOs

Info

ID:	42477
PubChem CID:	8149601
Reduced:	OSN4C24H30 (1)
Stoich.:	ABC4D24E30 (1)
Weight, g/mol:	402.104956
ΔH_f, kcal/mol:	-18.72
Dipole, Da:	2.79
IP(EA), eV:	-8.01(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-1,3-oxazol-5-amine

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)NC4=CC=C(C=C4)N5CCCCC5

DOS

IR

Vibrations