Geometry & MOs

Info

ID:	393126
PubChem CID:	135019474
Reduced:	BrNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	337.03136
ΔH_f, kcal/mol:	-105.13
Dipole, Da:	4.43
IP(EA), eV:	-9.55(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=C)CC[C@@]1(C2=C(C=C(C=C2)Br)NC1=O)CC(=O)O

DOS

IR

Vibrations