Geometry & MOs

Info

ID:	225614
PubChem CID:	85856319
Reduced:	PC20H39 (1)
Stoich.:	AB20C39 (1)
Weight, g/mol:	506.216535
ΔH_f, kcal/mol:	-89.79
Dipole, Da:	1.66
IP(EA), eV:	-8.25(3.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-2-[[1-[2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCP1CCC2CCC1CC2

DOS

IR

Vibrations