Geometry & MOs

Info

ID:	392121
PubChem CID:	135013127
Reduced:	FSO4C14H15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	606.268964
ΔH_f, kcal/mol:	-160.62
Dipole, Da:	4.13
IP(EA), eV:	-10.28(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aS,8bS)-8b-[(2S,3aR,8bR)-2-carboxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole-2-carboxylic acid

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@@H]1C[C@H]1/C=C(/F)\S(=O)(=O)C2=CC=CC=C2

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@@H]1C[C@H]1/C=C(/F)\S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):