Geometry & MOs

Info

ID:	243761
PubChem CID:	99234668
Reduced:	ClOF3N4C17H18 (1)
Stoich.:	ABC3D4E17F18 (1)
Weight, g/mol:	485.02562
ΔH_f, kcal/mol:	-145.37
Dipole, Da:	9.77
IP(EA), eV:	-8.74(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]-N-tert-butyl-3-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)[C@H]1CCCN1C2=C(C(=O)N(N=C2)C3=NC=C(C=C3)C(F)(F)F)Cl

DOS

IR

Vibrations