Geometry & MOs

Info

ID:	155792
PubChem CID:	56367568
Reduced:	BrN3O3H18C21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	439.086974
ΔH_f, kcal/mol:	-40.72
Dipole, Da:	6.46
IP(EA), eV:	-9.09(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-3-methyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]thieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCC(=O)NC2=CN=CC=C2)OCC3=CC(=CC=C3)Br

DOS

IR

Vibrations