Geometry & MOs

Info

ID:	49789
PubChem CID:	11533830
Reduced:	O7C31H44 (1)
Stoich.:	A7B31C44 (1)
Weight, g/mol:	528.131281
ΔH_f, kcal/mol:	-292.39
Dipole, Da:	1.75
IP(EA), eV:	-8.69(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-chloro-9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

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

C[C@H]1[C@H](O[C@H]([C@@H]([C@H]1O)C)C2=CC(=C(C(=C2OC(=O)C)OC)C)OC)CC[C@H](C)CCOCC3=CC=CC=C3

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

C[C@H]1[C@H](O[C@H]([C@@H]([C@H]1O)C)C2=CC(=C(C(=C2OC(=O)C)OC)C)OC)CC[C@H](C)CCOCC3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):