Geometry & MOs

Info

ID:	320954
PubChem CID:	126664291
Reduced:	ClFSN4O4C28H38 (1)
Stoich.:	ABCD4E4F28G38 (1)
Weight, g/mol:	383.134443
ΔH_f, kcal/mol:	-161.72
Dipole, Da:	3.27
IP(EA), eV:	-8.43(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-phenyl-3-[(E)-3-[2-(2,2,2-trifluoroethyl)oxan-4-yl]prop-2-enoyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1CC2CN([C@H](CN2)CCC3=C(C=CC=C3F)NC(=O)[C@H](C4(CCOCC4)C5=CC=C(C=C5)Cl)N)S(C1)(O)O

DOS

IR

Vibrations