Geometry & MOs

Info

ID:	157574
PubChem CID:	56435800
Reduced:	SO3N4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	411.109817
ΔH_f, kcal/mol:	-32.4
Dipole, Da:	3.6
IP(EA), eV:	-8.53(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-5-(furan-2-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)NCCCC3=NC(=NO3)C)C4=CC=CS4

DOS

IR

Vibrations