Geometry & MOs

Info

ID:

172978

PubChem CID:

75577508

Reduced:

O11N13C41H61 (1)

Stoich.:

A11B13C41D61 (1)

Weight, g/mol:

449.247855

ΔHf, kcal/mol:

-455.09

Dipole, Da:

10.02

IP(EA), eV:

 -9.14(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations