Geometry & MOs

Info

ID:	89958
PubChem CID:	49965596
Reduced:	SO4N6H12C17 (1)
Stoich.:	AB4C6D12E17 (1)
Weight, g/mol:	563.226765
ΔH_f, kcal/mol:	26.43
Dipole, Da:	10.24
IP(EA), eV:	-8.98(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8E)-6-acetyl-2-amino-4-(2,4,5-trimethoxyphenyl)-8-[(2,4,5-trimethoxyphenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile

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

CNC1=NC2=C(S1)C3=C(C(C(=C(O3)N)C#N)C4=CC=CC=C4[N+](=O)[O-])C(=O)N2

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

CNC1=NC2=C(S1)C3=C(C(C(=C(O3)N)C#N)C4=CC=CC=C4[N+](=O)[O-])C(=O)N2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):