Geometry & MOs

Info

ID:

436499

PubChem CID:

135204548

Reduced:

O3N8C31H32 (1)

Stoich.:

A3B8C31D32 (1)

Weight, g/mol:

584.168283

ΔHf, kcal/mol:

35.24

Dipole, Da:

8.61

IP(EA), eV:

 -8.95(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5R)-3-[2-[(4-fluorophenyl)methyl-(1,1,1-trifluoropropan-2-yl)amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(C1)N3CCN(C(=O)C3=C2)C4=NC=CC(=C4C=O)C5=C6C(=NC=C5)NN=C6NC7CCN(C7)C(=O)C=C)C

DOS

IR

Vibrations