Geometry & MOs

Info

ID:	313250
PubChem CID:	126613069
Reduced:	N2O5C23H24 (1)
Stoich.:	A2B5C23D24 (1)
Weight, g/mol:	429.206385
ΔH_f, kcal/mol:	-139.19
Dipole, Da:	2.96
IP(EA), eV:	-8.4(-0.04)
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-[1-(4-fluorophenyl)-2-methylpropan-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

C1COC2=C(O1)C=CC(=C2)NC(=O)N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4/C=C\C5=CC=CC=C5

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

C1COC2=C(O1)C=CC(=C2)NC(=O)N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4/C=C\C5=CC=CC=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):