Geometry & MOs

Info

ID:	309709
PubChem CID:	126555705
Reduced:	N2O2F3C20H23 (1)
Stoich.:	A2B2C3D20E23 (1)
Weight, g/mol:	479.224263
ΔH_f, kcal/mol:	-189.87
Dipole, Da:	3.6
IP(EA), eV:	-8.81(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylmethyl)-1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(N=C1)NC2CC2)C#CCC3CCC(CC3)C(F)(F)F

DOS

IR

Vibrations