Geometry & MOs

Info

ID:

133160

PubChem CID:

51485989

Reduced:

N3O6C22H29 (1)

Stoich.:

A3B6C22D29 (1)

Weight, g/mol:

474.076469

ΔHf, kcal/mol:

-186.75

Dipole, Da:

6.02

IP(EA), eV:

 -10.56(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (4R)-4-(4-chlorophenyl)-6-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)CN2C(=O)[C@@](NC2=O)(C)C3=CC=C(C=C3)[N+](=O)[O-])C(C)C

DOS

IR

Vibrations