Geometry & MOs

Info

ID:	148170
PubChem CID:	53787832
Reduced:	BrO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	548.278741
ΔH_f, kcal/mol:	-35.43
Dipole, Da:	4.83
IP(EA), eV:	-8.34(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-ethylhydrazinyl]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1CC2=CC(=C(C=C2OC1)CC=CC3=CC=CC=C3Br)O

DOS

IR

Vibrations