Geometry & MOs

Info

ID:	244209
PubChem CID:	99319384
Reduced:	BrN2O3F4H15C19 (1)
Stoich.:	AB2C3D4E15F19 (1)
Weight, g/mol:	480.164283
ΔH_f, kcal/mol:	-261.09
Dipole, Da:	3.54
IP(EA), eV:	-9.64(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)C(=O)NCCNC(=O)/C=C/C2=C(C=CC(=C2)Br)OC(F)F

DOS

IR

Vibrations