Geometry & MOs

Info

ID:	135808
PubChem CID:	51939126
Reduced:	ClSO3N4C16H17 (1)
Stoich.:	ABC3D4E16F17 (1)
Weight, g/mol:	408.040305
ΔH_f, kcal/mol:	-66.32
Dipole, Da:	8.69
IP(EA), eV:	-9.39(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-fluorophenyl)-2-[2-nitro-4-(trifluoromethylsulfonyl)anilino]ethanol

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)[C@@H]2CCCN2C(=O)C3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations