Geometry & MOs

Info

ID:	178595
PubChem CID:	76353986
Reduced:	ON6C25H30 (1)
Stoich.:	AB6C25D30 (1)
Weight, g/mol:	396.136845
ΔH_f, kcal/mol:	52.15
Dipole, Da:	9.02
IP(EA), eV:	-8.61(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)oxyacetamide

Drug info:

PubChemData

Smile

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4N3)C

DOS

IR

Vibrations