Geometry & MOs

Info

ID:	381466
PubChem CID:	134972217
Reduced:	BrN3O6C26H26 (1)
Stoich.:	AB3C6D26E26 (1)
Weight, g/mol:	470.04773
ΔH_f, kcal/mol:	-210.86
Dipole, Da:	6.93
IP(EA), eV:	-8.96(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-[(2Z)-2-(1-acetyl-6-bromo-2-methoxy-2H-indol-3-ylidene)acetyl]-4-phenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC(=O)N1C=C(C2=C1C=C(C=C2)Br)[C@H](C(=O)N3[C@H](COC3=O)C4=CC=CC=C4)NC(=O)OC(C)(C)C

DOS

IR

Vibrations