Geometry & MOs

Info

ID:

127563

PubChem CID:

51006179

Reduced:

O9C22H22 (1)

Stoich.:

A9B22C22 (1)

Weight, g/mol:

337.161269

ΔHf, kcal/mol:

-259.35

Dipole, Da:

2.54

IP(EA), eV:

 -9.46(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-3-[(1S,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2[C@H]3C(O[C@@H]([C@]24C(=CO1)[C@@H]([C@H]5[C@@H](C4=O)O5)OC(=O)C)C6=C3C(=O)[C@@H]7[C@H]([C@@H]6O)O7)C

DOS

IR

Vibrations