Geometry & MOs

Info

ID:	313238
PubChem CID:	126612940
Reduced:	Cl2N2O3H18C21 (1)
Stoich.:	A2B2C3D18E21 (1)
Weight, g/mol:	398.195405
ΔH_f, kcal/mol:	-16.04
Dipole, Da:	6.3
IP(EA), eV:	-9.05(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,3aR,6S,6aS)-6-(2-methylpyridin-3-yl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(2-pyridin-3-ylpropan-2-yl)urea

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

C1[C@H]([C@H]2[C@H](O1)[C@H](CO2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)C#CC4=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

C1[C@H]([C@H]2[C@H](O1)[C@H](CO2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)C#CC4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):