Geometry & MOs

Info

ID:

310513

PubChem CID:

126581399

Reduced:

FON5C18H22 (1)

Stoich.:

ABC5D18E22 (1)

Weight, g/mol:

537.207527

ΔHf, kcal/mol:

-23.75

Dipole, Da:

7.02

IP(EA), eV:

 -8.97(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2'S,4R)-N-[(2,4-difluorophenyl)methyl]-2'-(hydroxymethyl)-1,8-dioxo-9-phenylmethoxy-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-7-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2CCC(CC2)/C(=C/N)/C3=NC4=C(C=C(C=C4N3)F)C(=O)N

DOS

IR

Vibrations