Geometry & MOs

Info

ID:

183038

PubChem CID:

76971076

Reduced:

ON2H13C14 (6)

Stoich.:

AB2C13D14 (6)

Weight, g/mol:

370.085089

ΔHf, kcal/mol:

101.56

Dipole, Da:

10.2

IP(EA), eV:

 -8.58(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;[(1R,3E,4S)-3-[(4-formylphenyl)methylidene]-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N[C@H](C2=CC=NC=C2)[C@@H](C3=CC=NC=C3)NC(=O)C4=CC=CC=C4C.CC1=CC=CC=C1C(=O)N[C@H](C2=CC=NC=C2)[C@H](C3=CC=NC=C3)NC(=O)C4=CC=CC=C4C.CC1=CC=CC=C1C(=O)N[C@@H](C2=CC=NC=C2)[C@H](C3=CC=NC=C3)NC(=O)C4=CC=CC=C4C

DOS

IR

Vibrations