Geometry & MOs

Info

ID:	31920
PubChem CID:	3723557
Reduced:	Cl2O2N3F6H11C20 (1)
Stoich.:	A2B2C3D6E11F20 (1)
Weight, g/mol:	363.01399
ΔH_f, kcal/mol:	-328.26
Dipole, Da:	3.86
IP(EA), eV:	-9.26(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-bromophenyl)sulfonylamino]-3,3-dimethylbutanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)CC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl)OC3=NC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations