Geometry & MOs

Info

ID:	392735
PubChem CID:	135017803
Reduced:	NO5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	384.204907
ΔH_f, kcal/mol:	-156.33
Dipole, Da:	2.23
IP(EA), eV:	-8.66(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(1H-indol-3-yl)-2-[[(1R,2R)-2-pent-4-enylcyclopentyl]oxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1CN(CC2=CC(=C(C(=C12)OC)OC)OC)CC3=CC=CC=C3

DOS

IR

Vibrations