Geometry & MOs

Info

ID:	324410
PubChem CID:	126677612
Reduced:	NS2O4C13H23 (1)
Stoich.:	AB2C4D13E23 (1)
Weight, g/mol:	585.21115
ΔH_f, kcal/mol:	-187.08
Dipole, Da:	1.73
IP(EA), eV:	-8.71(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-[3-amino-3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@H](CCSC)NC(=O)CC(/C=C/CCS)O

DOS

IR

Vibrations