Geometry & MOs

Info

ID:

44730

PubChem CID:

10505613

Reduced:

TiO10C22H34 (1)

Stoich.:

AB10C22D34 (1)

Weight, g/mol:

502.185235

ΔHf, kcal/mol:

-421.54

Dipole, Da:

6.42

IP(EA), eV:

 -7.93(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[4-[[(6S)-2-methyl-4-oxo-1,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl]-prop-2-ynylamino]benzoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CCO.CC1(OC[C@@H](O1)[C@H]([C@@H]([C@H]2COC(O2)(C)C)O)O)C.C1=CC=C(C=C1)C(=O)C(=O)O.[Ti]

DOS

IR

Vibrations