Geometry & MOs

Info

ID:	304757
PubChem CID:	124766134
Reduced:	N2O6C23H24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	424.163436
ΔH_f, kcal/mol:	-196.94
Dipole, Da:	3.8
IP(EA), eV:	-9.21(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,3S,3aS,6aS)-5-ethyl-1-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-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

CCN1C(=O)[C@H]2[C@H](C1=O)[C@](N[C@H]2C3=CC=C(C=C3)O)(CC4=CC=C(C=C4)O)C(=O)OC

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

CCN1C(=O)[C@H]2[C@H](C1=O)[C@](N[C@H]2C3=CC=C(C=C3)O)(CC4=CC=C(C=C4)O)C(=O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):