Geometry & MOs

Info

ID:	393125
PubChem CID:	135019471
Reduced:	O3N4C31H32 (1)
Stoich.:	A3B4C31D32 (1)
Weight, g/mol:	337.03136
ΔH_f, kcal/mol:	-10.31
Dipole, Da:	2.58
IP(EA), eV:	-8.98(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-6-bromo-3-(3-methylbut-3-enyl)-2-oxo-1H-indol-3-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NC3=C(C=C(C=C3)C4=CC=CC(=C4)CN5CCC5)C(=O)N2CC(=O)NCC6CC6

DOS

IR

Vibrations