Geometry & MOs

Info

ID:	146400
PubChem CID:	53682510
Reduced:	N5O6C13H21 (1)
Stoich.:	A5B6C13D21 (1)
Weight, g/mol:	498.029776
ΔH_f, kcal/mol:	-236.38
Dipole, Da:	7.48
IP(EA), eV:	-9.73(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-chloro-4-[[4-(2-hydroxyethylsulfanyl)phenyl]sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)OC[C@@H](C(=O)O)N)N)OC(=O)[C@H](CC1=CN=CN1)N

DOS

IR

Vibrations