Geometry & MOs

Info

ID:	304983
PubChem CID:	124766388
Reduced:	NO3H13C14 (2)
Stoich.:	AB3C13D14 (2)
Weight, g/mol:	334.132885
ΔH_f, kcal/mol:	-165.19
Dipole, Da:	3.08
IP(EA), eV:	-8.89(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,3R,3aR,6aS)-1-(2-fluorophenyl)-3,5-dimethyl-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

CCOC(=O)[C@]1([C@H]2[C@H]([C@H](N1)C3=CC=C(C=C3)O)C(=O)N(C2=O)C4=CC=CC=C4)CC5=CC=C(C=C5)O

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

CCOC(=O)[C@]1([C@H]2[C@H]([C@H](N1)C3=CC=C(C=C3)O)C(=O)N(C2=O)C4=CC=CC=C4)CC5=CC=C(C=C5)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):