Geometry & MOs

Info

ID:	367992
PubChem CID:	127326374
Reduced:	OS2N5C17H23 (1)
Stoich.:	AB2C5D17E23 (1)
Weight, g/mol:	346.121195
ΔH_f, kcal/mol:	-4.55
Dipole, Da:	6.13
IP(EA), eV:	-8.51(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methyl-1,3-thiazol-2-yl)-3-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)NC(=O)NCCC3=CSC(=N3)N4CCCC4

DOS

IR

Vibrations