Geometry & MOs

Info

ID:	304882
PubChem CID:	124766271
Reduced:	N3O4C24H33 (1)
Stoich.:	A3B4C24D33 (1)
Weight, g/mol:	390.161329
ΔH_f, kcal/mol:	-146.98
Dipole, Da:	3.14
IP(EA), eV:	-9.67(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,3R,3aR,6aR)-5-methyl-1-(3-methylphenyl)-3-(2-methylsulfanylethyl)-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

C=CCN1[C@@H]([C@@]23C=C[C@@H](O2)[C@H]([C@H]3C1=O)C(=O)NC4CCCCC4)C(=O)NC5CCCC5

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

C=CCN1[C@@H]([C@@]23C=C[C@@H](O2)[C@H]([C@H]3C1=O)C(=O)NC4CCCCC4)C(=O)NC5CCCC5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):