Geometry & MOs

Info

ID:

133161

PubChem CID:

51486056

Reduced:

ClSN4O5H19C21 (1)

Stoich.:

ABC4D5E19F21 (1)

Weight, g/mol:

474.076469

ΔHf, kcal/mol:

-117.66

Dipole, Da:

5.25

IP(EA), eV:

 -9.1(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (4S)-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

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=C(C=C2)Cl)CSC3=NN=C(O3)C4=C(OC=C4)C

DOS

IR

Vibrations