Geometry & MOs

Info

ID:	314578
PubChem CID:	126622254
Reduced:	BrFO5N7H33C35 (1)
Stoich.:	ABC5D7E33F35 (1)
Weight, g/mol:	381.05757
ΔH_f, kcal/mol:	-106.79
Dipole, Da:	8.21
IP(EA), eV:	-9.01(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(3-acetyl-5-bromo-6-methoxyindol-1-yl)acetate

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=C(C=C3C(=C2)C(=NN3CC(=O)N4C[C@@H](C[C@H]4C(=O)NC5=NC(=CC=C5)Br)F)C(=O)C)OCCOCC6=CC=CC=C6

DOS

IR

Vibrations