Geometry & MOs

Info

ID:	138277
PubChem CID:	52338313
Reduced:	FSN3O4H20C22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	391.99426
ΔH_f, kcal/mol:	-96.97
Dipole, Da:	3.12
IP(EA), eV:	-8.6(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-(1H-indazol-7-ylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@H]2CC(=O)N=C([C@H]2C#N)SCC(=O)NC3=CC=CC=C3F)OC

DOS

IR

Vibrations