Geometry & MOs

Info

ID:	243637
PubChem CID:	99233570
Reduced:	SN3O5C21H39 (1)
Stoich.:	AB3C5D21E39 (1)
Weight, g/mol:	469.30529
ΔH_f, kcal/mol:	-282.26
Dipole, Da:	4.37
IP(EA), eV:	-9.38(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)N1CCC(CC1)C(=O)N2CCC[C@H](C2)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations