Geometry & MOs

Info

ID:	62183
PubChem CID:	26717900
Reduced:	ICl2N2O2H9C15 (1)
Stoich.:	AB2C2D2E9F15 (1)
Weight, g/mol:	449.98606
ΔH_f, kcal/mol:	-4.47
Dipole, Da:	2.12
IP(EA), eV:	-8.98(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromophenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C3=C(C(=CC(=C3)Cl)Cl)I

DOS

IR

Vibrations