Geometry & MOs

Info

ID:	168116
PubChem CID:	74925650
Reduced:	SO4N5C21H23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	434.083095
ΔH_f, kcal/mol:	-35.07
Dipole, Da:	3.35
IP(EA), eV:	-9.39(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NC(=O)N(C(=O)C1CC2=NN=C(O2)SCC(=O)NCCC3=CC=CC=C3)CC=C

DOS

IR

Vibrations