Geometry & MOs

Info

ID:	321055
PubChem CID:	126664589
Reduced:	ClFSN4O4C30H42 (1)
Stoich.:	ABCD4E4F30G42 (1)
Weight, g/mol:	413.139386
ΔH_f, kcal/mol:	-186.61
Dipole, Da:	2.15
IP(EA), eV:	-8.52(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-[2-[1-(4-chlorophenyl)-4-hydroxycyclohexyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1C[C@@H]2CN([C@H](CN2)CCC3=C(C=CC=C3F)NC(=O)[C@H]([C@H](C4CCC(CC4)O)C5=CC=C(C=C5)Cl)N)S(C1)(O)O

DOS

IR

Vibrations