Geometry & MOs

Info

ID:

445502

PubChem CID:

135267399

Reduced:

NPSO5H8C12 (1)

Stoich.:

ABCD5E8F12 (1)

Weight, g/mol:

1002.282449

ΔHf, kcal/mol:

-199.74

Dipole, Da:

10.65

IP(EA), eV:

 -9.5(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S)-9-(4-methoxyphenyl)-7-[[4-[[(1S,5S)-3-(4-methoxyphenyl)-6,8-dimethyl-7,9-dioxo-5-(phenylmethoxymethyl)-2,4-dithia-6,8-diazabicyclo[3.2.2]nonan-1-yl]methyl]phenyl]methyl]-2,5-dimethyl-4-(phenylmethoxymethyl)-8,10-dithia-2,5-diazatricyclo[5.3.0.01,4]decane-3,6-dione

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)OP(=S)(O)O

DOS

IR

Vibrations