Geometry & MOs

Info

ID:	307427
PubChem CID:	125299919
Reduced:	SO2N4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	480.137988
ΔH_f, kcal/mol:	31.69
Dipole, Da:	4.23
IP(EA), eV:	-8.55(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-2-[[5-[(2,6-dioxo-5H-pyrimidin-4-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC(=O)[C@H](C(=N2)C3=CC=CC=C3)C#N

DOS

IR

Vibrations