Geometry & MOs

Info

ID:	427515
PubChem CID:	135159479
Reduced:	ON2H14C18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	712.221821
ΔH_f, kcal/mol:	55.21
Dipole, Da:	4.4
IP(EA), eV:	-8.01(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-(1H-[1]benzothiolo[3,2-b]pyrrol-8-yl)spiro[4a,9a-dihydroxanthene-9,9'-8a,10a-dihydroxanthene]-3'-yl]-1,2,3,4,6,7-hexahydro-[1]benzothiolo[3,2-c]pyridine

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC2=C(C=C1)N(C3=C(O2)N=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC2=C(C=C1)N(C3=C(O2)N=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):