Geometry & MOs

Info

ID:

226210

PubChem CID:

87350149

Reduced:

P2N5C16O17H27 (1)

Stoich.:

A2B5C16D17E27 (1)

Weight, g/mol:

434.969428

ΔHf, kcal/mol:

-825.53

Dipole, Da:

6.21

IP(EA), eV:

 -9.41(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(1-benzofuran-2-carbonylamino)-4-(trifluoromethylsulfonyloxy)thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N.C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O

DOS

IR

Vibrations