Geometry & MOs

Info

ID:

133090

PubChem CID:

51474866

Reduced:

ClNSO5H22C24 (1)

Stoich.:

ABCD5E22F24 (1)

Weight, g/mol:

479.162725

ΔHf, kcal/mol:

-159.19

Dipole, Da:

4.18

IP(EA), eV:

 -8.93(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (4S)-4-(4-methoxyphenyl)-6-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)C)Cl

DOS

IR

Vibrations