Geometry & MOs

Info

ID:	402042
PubChem CID:	135053997
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	300.114378
ΔH_f, kcal/mol:	-14.92
Dipole, Da:	3.14
IP(EA), eV:	-9.46(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4R,5S)-5-butyl-2-sulfanylidene-1,3-oxazolidine-4-carbonyl]-4,4-dimethyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H](CC(=O)N2C3=CC=CC=C3N=N2)C4N=C(C(=O)O4)C(C)C

DOS

IR

Vibrations