Geometry & MOs

Info

ID:	304371
PubChem CID:	124561164
Reduced:	ClSN2O5C18H21 (1)
Stoich.:	ABC2D5E18F21 (1)
Weight, g/mol:	398.08672
ΔH_f, kcal/mol:	-171.23
Dipole, Da:	1.73
IP(EA), eV:	-8.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-[(2R)-butan-2-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)OC)N(C2=C(C=CC(=C2)Cl)OC)S(=O)(=O)C

DOS

IR

Vibrations