Geometry & MOs

Info

ID:	169920
PubChem CID:	75167752
Reduced:	BrSN2O4C16H19 (1)
Stoich.:	ABC2D4E16F19 (1)
Weight, g/mol:	356.152478
ΔH_f, kcal/mol:	-72.42
Dipole, Da:	5.84
IP(EA), eV:	-9.24(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[1-(4-phenylphenyl)indol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNS(=O)(=O)C2CON(C2C3=CC=C(O3)Br)C

DOS

IR

Vibrations