Geometry & MOs

Info

ID:	307246
PubChem CID:	125292951
Reduced:	NS3O10C12H23 (1)
Stoich.:	AB3C10D12E23 (1)
Weight, g/mol:	709.282172
ΔH_f, kcal/mol:	-386.06
Dipole, Da:	5.85
IP(EA), eV:	-8.5(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-benzylsulfanyl-2-[[(2R)-2-[[2-[(5R,6S)-3-tert-butyl-5,9-dimethyl-7-oxo-5,6-dihydrofuro[3,2-g]chromen-6-yl]acetyl]amino]-3-(2H-indol-3-yl)propanoyl]amino]propanoic 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

C[S@](=O)CCCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)CO)O)O)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

C[S@](=O)CCCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)CO)O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):