Geometry & MOs

Info

ID:	186262
PubChem CID:	77413393
Reduced:	OSN3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	431.19574
ΔH_f, kcal/mol:	20.02
Dipole, Da:	3.19
IP(EA), eV:	-8.36(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]-benzylamino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1C=CC2=C(C1O)NC3=NC=CCN3CS2

DOS

IR

Vibrations