Geometry & MOs

Info

ID:	180570
PubChem CID:	76654224
Reduced:	F4N7H19C24 (1)
Stoich.:	A4B7C19D24 (1)
Weight, g/mol:	451.239496
ΔH_f, kcal/mol:	-35.94
Dipole, Da:	5.5
IP(EA), eV:	-8.76(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=CN=C1)C2=NC(=NC=C2F)NN=CC3=NC=C(C=C3)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations