Geometry & MOs

Info

ID:	297684
PubChem CID:	117625650
Reduced:	PN5O7C10H14 (1)
Stoich.:	AB5C7D10E14 (1)
Weight, g/mol:	614.26916
ΔH_f, kcal/mol:	-302.81
Dipole, Da:	2.49
IP(EA), eV:	-9.46(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[ethyl(oxan-4-yl)amino]-5-piperidin-1-ylpyridin-3-yl]methyl]-4-methyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1N2C(=NC3=C(N=CN=C32)N)C(C(O1)C(CO)O)OP(=O)(O)O

DOS

IR

Vibrations