Geometry & MOs

Info

ID:	84257
PubChem CID:	49865138
Reduced:	N2O7C17H20 (1)
Stoich.:	A2B7C17D20 (1)
Weight, g/mol:	418.174001
ΔH_f, kcal/mol:	-240.51
Dipole, Da:	10.91
IP(EA), eV:	-9.72(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-5-[[(3aS,7aS)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indol-1-yl]oxy]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)OCC(=O)[C@H](CC(=O)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations