Geometry & MOs

Info

ID:

308121

PubChem CID:

125317039

Reduced:

SN4O4C22H26 (1)

Stoich.:

AB4C4D22E26 (1)

Weight, g/mol:

565.196134

ΔHf, kcal/mol:

-47.97

Dipole, Da:

9.29

IP(EA), eV:

 -8.74(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3R,3aS,6aS)-5-(2-methoxy-4-nitrophenyl)-1-(2-methylpropyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC[C@H]2N=NC(=S)N2C3=CC=CC=C3

DOS

IR

Vibrations