Geometry & MOs

Info

ID:

186538

PubChem CID:

77443601

Reduced:

FN3O3C27H30 (1)

Stoich.:

AB3C3D27E30 (1)

Weight, g/mol:

655.350047

ΔHf, kcal/mol:

-109.86

Dipole, Da:

3.98

IP(EA), eV:

 -8.51(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-7-[2-[(2-cyclopentylacetyl)amino]-3,3-dimethylbutyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=CC(=C(N=C2)N3CCC(C3)F)C(=O)NCC4=CC(=C(C=C4)OC)OC)C

DOS

IR

Vibrations