Geometry & MOs

Info

ID:	439574
PubChem CID:	135229350
Reduced:	SN3C8H11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	684.219799
ΔH_f, kcal/mol:	60.29
Dipole, Da:	3.95
IP(EA), eV:	-8.59(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[1-chloro-2-oxo-2-[1-(5-pyrimidin-2-ylpyridin-2-yl)piperidin-4-yl]ethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methylsulfanylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NNCN2C

DOS

IR

Vibrations