Geometry & MOs

Info

ID:	276271
PubChem CID:	103821877
Reduced:	BrN2O2F3C15H20 (1)
Stoich.:	AB2C2D3E15F20 (1)
Weight, g/mol:	343.156577
ΔH_f, kcal/mol:	-259.37
Dipole, Da:	4.75
IP(EA), eV:	-8.87(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(3-sulfamoylphenyl)methylamino]propyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCNC1=C(C=C(C=C1)Br)C(F)(F)F

DOS

IR

Vibrations