Geometry & MOs

Info

ID:	130926
PubChem CID:	51130061
Reduced:	BrN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	414.051956
ΔH_f, kcal/mol:	-46.91
Dipole, Da:	2.95
IP(EA), eV:	-8.93(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,5-difluorophenyl)sulfonylamino]-2-thiomorpholin-4-ylbenzoic acid

Drug info:

PubChemData

Smile

C1CC1NC(=O)CCN2CCOC(C2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations