Geometry & MOs

Info

ID:	65448
PubChem CID:	38671673
Reduced:	BrSN3O3H16C17 (1)
Stoich.:	ABC3D3E16F17 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-57.84
Dipole, Da:	2.86
IP(EA), eV:	-9.18(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-1-oxopropan-2-yl] 1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCN(C1=NC(=CS1)COC(=O)C2=CC3=C(N2)C=CC(=C3)Br)C(=O)C

DOS

IR

Vibrations