Geometry & MOs

Info

ID:	381408
PubChem CID:	134972132
Reduced:	OBr2N4H16C20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	555.1005
ΔH_f, kcal/mol:	50.18
Dipole, Da:	4.64
IP(EA), eV:	-8.67(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R)-1-(1-acetyl-6-bromoindol-3-yl)-2-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]ethyl]carbamate

Drug info:

PubChemData

Smile

C1[C@H](NC(=O)C(N1)C2=CNC3=C2C=CC(=C3)Br)C4=CNC5=C4C=CC(=C5)Br

DOS

IR

Vibrations