Geometry & MOs

Info

ID:	155866
PubChem CID:	56367991
Reduced:	SN4O6C21H26 (1)
Stoich.:	AB4C6D21E26 (1)
Weight, g/mol:	483.03646
ΔH_f, kcal/mol:	-194.25
Dipole, Da:	8.15
IP(EA), eV:	-9.35(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCCC(=O)NCC2=CC=NC=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations