Geometry & MOs

Info

ID:	180571
PubChem CID:	76654309
Reduced:	F2O3N5C22H31 (1)
Stoich.:	A2B3C5D22E31 (1)
Weight, g/mol:	486.255481
ΔH_f, kcal/mol:	-201.14
Dipole, Da:	2.31
IP(EA), eV:	-9.58(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-pyridin-4-ylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide

Drug info:

PubChemData

Smile

CC(CC(C(=O)NC1(CC1)C#N)NC(=O)N2CCC3(CC2)CC(=O)N(C3)CC4CC4)(F)F

DOS

IR

Vibrations