Geometry & MOs

Info

ID:

308393

PubChem CID:

125326866

Reduced:

N2O2H13C15 (2)

Stoich.:

A2B2C13D15 (2)

Weight, g/mol:

506.195405

ΔHf, kcal/mol:

-69.5

Dipole, Da:

1.42

IP(EA), eV:

 -8.92(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3R,3aS,6aS)-5-(3-methoxyphenyl)-1-propan-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione

Drug info:

PubChemData

Smile

CC(C)[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C3=CC(=CC=C3)OC)[C@]4(N1)C5=CC=CC=C5N6C4=NC7=CC=CC=C7C6=O

DOS

IR

Vibrations