Geometry & MOs

Info

ID:	168557
PubChem CID:	74988550
Reduced:	NOF3C28H34 (1)
Stoich.:	ABC3D28E34 (1)
Weight, g/mol:	419.98763
ΔH_f, kcal/mol:	-120.48
Dipole, Da:	3.91
IP(EA), eV:	-9.35(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC=CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NC1=C(C=C(C=C1F)F)F

DOS

IR

Vibrations