Geometry & MOs

Info

ID:	304807
PubChem CID:	124766193
Reduced:	SN2O4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	484.199822
ΔH_f, kcal/mol:	-109.96
Dipole, Da:	3.66
IP(EA), eV:	-9.17(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,3S,3aS,6aS)-5-(4-ethoxyphenyl)-1-(2-methylphenyl)-4,6-dioxo-3-phenyl-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=CS3)C(=O)N(C2=O)C4=CC=CC=C4)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=CS3)C(=O)N(C2=O)C4=CC=CC=C4)C(=O)OCC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):