Geometry & MOs

Info

ID:	304643
PubChem CID:	124766011
Reduced:	FN2O5C27H29 (1)
Stoich.:	AB2C5D27E29 (1)
Weight, g/mol:	480.20605
ΔH_f, kcal/mol:	-209.38
Dipole, Da:	6.71
IP(EA), eV:	-9.43(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,3S,3aR,6aS)-5-(3-acetylphenyl)-3-butyl-1-(3-fluorophenyl)-4,6-dioxo-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

CCCC[C@]1([C@H]2[C@H]([C@H](N1)C3=CC(=CC=C3)F)C(=O)N(C2=O)C4=CC=CC(=C4)C(=O)C)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

CCCC[C@]1([C@H]2[C@H]([C@H](N1)C3=CC(=CC=C3)F)C(=O)N(C2=O)C4=CC=CC(=C4)C(=O)C)C(=O)OCC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):