Geometry & MOs

Info

ID:

10798

PubChem CID:

108075

Reduced:

N4O7C29H30 (1)

Stoich.:

A4B7C29D30 (1)

Weight, g/mol:

546.211449

ΔHf, kcal/mol:

-202.22

Dipole, Da:

7.66

IP(EA), eV:

 -9.02(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S)-1-[3-[(3'R,3aS,4S)-3-hydroxy-2,2-dimethyl-1,2'-dioxospiro[3aH-imidazo[1,2-a]indole-4,5'-oxolane]-3'-yl]-4-oxoquinazolin-2-yl]-2-methylpropyl] acetate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=NC2=CC=CC=C2C(=O)N1[C@@H]3C[C@]4([C@H]5N(C6=CC=CC=C64)C(=O)C(N5O)(C)C)OC3=O)OC(=O)C

DOS

IR

Vibrations