Geometry & MOs

Info

ID:

187080

PubChem CID:

77529474

Reduced:

F3N5O5C23H30 (1)

Stoich.:

A3B5C5D23E30 (1)

Weight, g/mol:

622.318892

ΔHf, kcal/mol:

-333.32

Dipole, Da:

3.89

IP(EA), eV:

 -9.29(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[4,4-dimethyl-2-oxo-1-(4-phenylpyrrolidin-3-yl)pentyl]-1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

CC1CCC(N(C1)CC(CC(N2CCC3=C(C2)N=C(N=C3C(F)(F)F)C4=COC=C4)O)NC(=O)O)O

DOS

IR

Vibrations