Geometry & MOs

Info

ID:	304614
PubChem CID:	124765980
Reduced:	FN2O6C26H27 (1)
Stoich.:	AB2C6D26E27 (1)
Weight, g/mol:	346.152872
ΔH_f, kcal/mol:	-234.2
Dipole, Da:	4.28
IP(EA), eV:	-8.45(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,3S,3aR,6aS)-1-(4-hydroxyphenyl)-5-methyl-4,6-dioxo-3-propyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

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

CCC[C@]1([C@H]2[C@H]([C@H](N1)C3=CC=CC=C3F)C(=O)N(C2=O)C4=CC5=C(C=C4)OCCO5)C(=O)OCC

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

CCC[C@]1([C@H]2[C@H]([C@H](N1)C3=CC=CC=C3F)C(=O)N(C2=O)C4=CC5=C(C=C4)OCCO5)C(=O)OCC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):