Geometry & MOs

Info

ID:	155744
PubChem CID:	56367297
Reduced:	SO4N5C20H25 (1)
Stoich.:	AB4C5D20E25 (1)
Weight, g/mol:	427.06439
ΔH_f, kcal/mol:	-111.42
Dipole, Da:	10.12
IP(EA), eV:	-9.0(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NCC(=O)NC3=CN=CC=C3

DOS

IR

Vibrations