Geometry & MOs

Info

ID:

164087

PubChem CID:

74381839

Reduced:

S4O5N6C24H24 (1)

Stoich.:

A4B5C6D24E24 (1)

Weight, g/mol:

501.255146

ΔHf, kcal/mol:

-37.68

Dipole, Da:

8.25

IP(EA), eV:

 -9.13(-1.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7-cyclopropyl-2,7-diazaspiro[3.5]nonan-2-yl) N-[1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1CN(CCN1S(=O)(=O)C2=CC=C(S2)C3=CN(N=N3)C4=C(SC(=N4)SC)C(=O)OC)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations