Geometry & MOs

Info

ID:	61398
PubChem CID:	26708889
Reduced:	ClSN2O3H15C19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	452.93107
ΔH_f, kcal/mol:	-35.08
Dipole, Da:	4.0
IP(EA), eV:	-8.53(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)[C@@H]3CC4=CC=CC=C4O3)Cl

DOS

IR

Vibrations