Geometry & MOs

Info

ID:	164050
PubChem CID:	74381666
Reduced:	SO4N5H27C28 (1)
Stoich.:	AB4C5D27E28 (1)
Weight, g/mol:	411.244582
ΔH_f, kcal/mol:	-24.08
Dipole, Da:	8.1
IP(EA), eV:	-9.1(-1.68)
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-propyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C3=CN(N=N3)C4=CC=C(C=C4)C(=O)C)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations