Geometry & MOs

Info

ID:	44383
PubChem CID:	10503293
Reduced:	BrO2N4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	441.157623
ΔH_f, kcal/mol:	-30.63
Dipole, Da:	3.73
IP(EA), eV:	-8.17(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-(9H-xanthen-9-yl)butane-1,3-dione

Drug info:

PubChemData

Smile

CC1=C2C3=C(C=CC(=C3)Br)NC2=C(C4=C1NC(=C(C4=O)CCC(=O)NN)C)C

DOS

IR

Vibrations