Geometry & MOs

Info

ID:	194637
PubChem CID:	78566765
Reduced:	FN2O3H19C22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	401.152161
ΔH_f, kcal/mol:	-69.98
Dipole, Da:	5.24
IP(EA), eV:	-9.07(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)OCC(=O)C3=CC=CC=C3F

DOS

IR

Vibrations