Geometry & MOs

Info

ID:	154715
PubChem CID:	56314223
Reduced:	F3O3N4C20H25 (1)
Stoich.:	A3B3C4D20E25 (1)
Weight, g/mol:	420.146741
ΔH_f, kcal/mol:	-236.64
Dipole, Da:	3.15
IP(EA), eV:	-8.87(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCC2=NN=C3N2CCCCC3)OCC(F)(F)F

DOS

IR

Vibrations