Geometry & MOs

Info

ID:	181412
PubChem CID:	76745217
Reduced:	ClNO3H24C28 (1)
Stoich.:	ABC3D24E28 (1)
Weight, g/mol:	494.135481
ΔH_f, kcal/mol:	-40.39
Dipole, Da:	1.8
IP(EA), eV:	-9.24(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]propylidene]-4,4-difluoropiperidine-1-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)O)COC=O

DOS

IR

Vibrations