Geometry & MOs

Info

ID:

49904

PubChem CID:

11534232

Reduced:

NSO15C20H39 (1)

Stoich.:

ABC15D20E39 (1)

Weight, g/mol:

566.237664

ΔHf, kcal/mol:

-688.48

Dipole, Da:

4.51

IP(EA), eV:

 -8.82(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-[2-[(1R)-1-(3-amino-4-oxoquinazolin-2-yl)ethoxy]ethyl] 7-O-methyl (6S)-2-methylidene-6-(phenylmethoxycarbonylamino)heptanedioate

Drug info:

PubChemData

Smile

C(CS)NC[C@H]([C@H]([C@@H]([C@@H](CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O

DOS

IR

Vibrations