Geometry & MOs

Info

ID:	310632
PubChem CID:	126584031
Reduced:	ClFSN3H15C16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	15.04
Dipole, Da:	2.09
IP(EA), eV:	-8.65(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-amino-1-methylindol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1F)NC=C2C3=CC(=CC(=C3)Cl)SNCCN

DOS

IR

Vibrations