Geometry & MOs

Info

ID:	307626
PubChem CID:	125307811
Reduced:	OC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	449.115775
ΔH_f, kcal/mol:	-78.59
Dipole, Da:	3.65
IP(EA), eV:	-9.95(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-5H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@H](CC[C@@H]1C(O1)(C)C)[C@@H]2CCC(=O)C=C2

DOS

IR

Vibrations