Geometry & MOs

Info

ID:

334331

PubChem CID:

127252883

Reduced:

N2O7H28C29 (1)

Stoich.:

A2B7C28D29 (1)

Weight, g/mol:

552.141177

ΔHf, kcal/mol:

-199.16

Dipole, Da:

5.07

IP(EA), eV:

 -8.75(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,7S)-7'-chloro-9-(3,4-dimethoxyphenyl)-4',6'-dimethoxy-6-methylspiro[1,5,6,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline-7,2'-1-benzofuran]-3',8-dione

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC(=O)C(=C2)C(CC(=O)OC)C3=C(C(=O)C=C(O3)CN4CCC5=CC=CC=C5C4)O

DOS

IR

Vibrations