Geometry & MOs

Info

ID:	136987
PubChem CID:	52134962
Reduced:	SO2N8C23H32 (1)
Stoich.:	AB2C8D23E32 (1)
Weight, g/mol:	486.216158
ΔH_f, kcal/mol:	7.82
Dipole, Da:	9.36
IP(EA), eV:	-8.71(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[4-ethyl-5-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-2-morpholin-4-ylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC2=NC(=NC=C2C(=O)OCC)N3CCCCC3)CCC4=CN(N=C4)C

DOS

IR

Vibrations