Geometry & MOs

Info

ID:	321358
PubChem CID:	126665866
Reduced:	OF3N6H27C28 (1)
Stoich.:	AB3C6D27E28 (1)
Weight, g/mol:	321.151098
ΔH_f, kcal/mol:	-45.31
Dipole, Da:	3.27
IP(EA), eV:	-8.98(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[N-[(R)-tert-butylsulfinyl]-C-(2-cyclopropylethyl)carbonimidoyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C1CC1)C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=CC=CC=N5

DOS

IR

Vibrations