Geometry & MOs

Info

ID:

186782

PubChem CID:

77482011

Reduced:

S2O3N5H45C49 (1)

Stoich.:

A2B3C5D45E49 (1)

Weight, g/mol:

383.209658

ΔHf, kcal/mol:

42.67

Dipole, Da:

5.32

IP(EA), eV:

 -8.75(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[1-[(1-hydroxy-4-tricyclo[3.3.1.02,7]non-2-enyl)amino]-2-methyl-1-oxopropan-2-yl]-5-methylphenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CC2=CC=CCC2)C3=NC=C(S3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CN=C(S6)C7CCCN7C(=O)C(C8=CC=CC=C8)NC(=O)C9=CC=CC=C9

DOS

IR

Vibrations