Geometry & MOs

Info

ID:

427480

PubChem CID:

135159298

Reduced:

N2O2S2H44C47 (1)

Stoich.:

A2B2C2D44E47 (1)

Weight, g/mol:

596.315127

ΔHf, kcal/mol:

69.57

Dipole, Da:

1.1

IP(EA), eV:

 -7.77(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(3-imidazolidin-2-ylspiro[4a,8a,9a,10a-tetrahydroxanthene-9,9'-xanthene]-3'-yl)-3-[(Z)-prop-1-enyl]-3a,4,5,7a-tetrahydroindol-2-amine

Drug info:

PubChemData

Smile

C/C=C\C1=C(SC2=C1C(=CCC2)C3CCC4=C(C3)OC5CC=CC[C@H]5C46C7=C(C=C(C=C7)C8CC=CC9=C8C1=C(S9)NCC=C1)OC1=CC=CC=C61)N

DOS

IR

Vibrations