Geometry & MOs

Info

ID:	155206
PubChem CID:	56322651
Reduced:	ClF3O3N4H18C21 (1)
Stoich.:	AB3C3D4E18F21 (1)
Weight, g/mol:	464.125133
ΔH_f, kcal/mol:	-205.33
Dipole, Da:	8.27
IP(EA), eV:	-9.03(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-5-(furan-2-yl)-N-[3-[(3-hydroxybenzoyl)amino]propyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)C(=O)NCCCNC(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)C(F)(F)F

DOS

IR

Vibrations