Geometry & MOs

Info

ID:	140645
PubChem CID:	52734771
Reduced:	SN2O6C22H24 (1)
Stoich.:	AB2C6D22E24 (1)
Weight, g/mol:	416.242356
ΔH_f, kcal/mol:	-169.79
Dipole, Da:	7.14
IP(EA), eV:	-8.67(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=CC(=C(C=C3)OC)NS(=O)(=O)C)C

DOS

IR

Vibrations