Geometry & MOs

Info

ID:	61041
PubChem CID:	26704624
Reduced:	SF3N4O4H21C22 (1)
Stoich.:	AB3C4D4E21F22 (1)
Weight, g/mol:	437.030013
ΔH_f, kcal/mol:	-265.22
Dipole, Da:	5.85
IP(EA), eV:	-9.35(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-fluorophenyl)sulfonyl-methylamino]phenyl] 5-chloro-2-fluorobenzoate

Drug info:

PubChemData

Smile

COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC=C(C=C3)SC(F)(F)F

DOS

IR

Vibrations