Geometry & MOs

Info

ID:	151560
PubChem CID:	53837793
Reduced:	ON3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	513.258734
ΔH_f, kcal/mol:	21.6
Dipole, Da:	1.78
IP(EA), eV:	-8.47(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[3-amino-2-(5-tert-butyloxadiazole-4-carbonyl)-2-methyl-3-oxopropyl]-N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N3C4=CC=CC=C4N(C3=N2)CC5=CC=CC=C5

DOS

IR

Vibrations