Geometry & MOs

Info

ID:	244173
PubChem CID:	99319182
Reduced:	F2O2N3H19C21 (1)
Stoich.:	A2B2C3D19E21 (1)
Weight, g/mol:	465.153384
ΔH_f, kcal/mol:	-124.07
Dipole, Da:	3.7
IP(EA), eV:	-9.2(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-N-[2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations