Geometry & MOs

Info

ID:

49913

PubChem CID:

11534298

Reduced:

SiN3O7C29H41 (1)

Stoich.:

AB3C7D29E41 (1)

Weight, g/mol:

374.13028

ΔHf, kcal/mol:

-300.76

Dipole, Da:

1.9

IP(EA), eV:

 -9.14(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-4-[1-(2,3-difluorophenyl)-2H-tetrazol-5-ylidene]-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(C2C([C@@H](N1)[C@H]([C@H]3[C@H](C(=O)N3CC=C)OC)O[Si](C)(C)C(C)(C)C)C(=O)N(C2=O)C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations