Geometry & MOs

Info

ID:

302501

PubChem CID:

124361978

Reduced:

SN5O6C22H27 (1)

Stoich.:

AB5C6D22E27 (1)

Weight, g/mol:

504.23727

ΔHf, kcal/mol:

-185.08

Dipole, Da:

6.09

IP(EA), eV:

 -9.61(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,3-dimethyl-5-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]-5-[(4-prop-2-enoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCN1CCN(C(=O)C1=O)N[C@@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@H]4N(C3=O)[C@@H](C(S4)(C)C)C(=O)O

DOS

IR

Vibrations