Geometry & MOs

Info

ID:	164059
PubChem CID:	74381703
Reduced:	N2O2F3H13C17 (1)
Stoich.:	A2B2C3D13E17 (1)
Weight, g/mol:	481.111457
ΔH_f, kcal/mol:	-167.14
Dipole, Da:	1.77
IP(EA), eV:	-9.36(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(4-chlorophenyl)-hydroxymethyl]-3-phenyl-3-sulfanylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1CC23CC1C(C(=C2C4=C(C3=O)C5=C(C=C4)NN=C5)C(F)(F)F)O

DOS

IR

Vibrations