Geometry & MOs

Info

ID:	170701
PubChem CID:	75269453
Reduced:	ClSN2O3C15H17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-103.59
Dipole, Da:	2.86
IP(EA), eV:	-8.88(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methoxyindol-1-yl)propanoylamino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CSCCC(C(=O)O)NC(=O)CN1C=CC2=C1C=C(C=C2)Cl

DOS

IR

Vibrations