Geometry & MOs

Info

ID:	139130
PubChem CID:	52478101
Reduced:	NO3H11C12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	452.231122
ΔH_f, kcal/mol:	-141.3
Dipole, Da:	2.4
IP(EA), eV:	-8.49(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2R,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1[C@H](N(CC2=CC=CC=C21)C(=O)C3=CC=CO3)C(=O)NCCOC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations