Geometry & MOs

Info

ID:

166177

PubChem CID:

74645559

Reduced:

ClSN4O4H14C22 (1)

Stoich.:

ABC4D4E14F22 (1)

Weight, g/mol:

302.13789

ΔHf, kcal/mol:

-4.2

Dipole, Da:

4.29

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.930784

Charge, e:

 0

Chem-info

IUPAC name:

6-methyl-4-oxo-N-(2-pyridin-2-ylethyl)-2,3,4a,7a-tetrahydro-1H-furo[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=C(C(=N3)[O-])C#N)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations