Geometry & MOs

Info

ID:	304892
PubChem CID:	124766281
Reduced:	SN2O7C25H26 (1)
Stoich.:	AB2C7D25E26 (1)
Weight, g/mol:	332.137222
ΔH_f, kcal/mol:	-235.01
Dipole, Da:	3.13
IP(EA), eV:	-8.48(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,3R,3aR,6aR)-1-(4-hydroxyphenyl)-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

COC(=O)[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC=C(C=C3)O)C(=O)N(C2=O)C4=CC5=C(C=C4)OCCO5)CCSC

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

COC(=O)[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC=C(C=C3)O)C(=O)N(C2=O)C4=CC5=C(C=C4)OCCO5)CCSC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):