Geometry & MOs

Info

ID:	140177
PubChem CID:	52658773
Reduced:	ClSN2O4C20H25 (1)
Stoich.:	ABC2D4E20F25 (1)
Weight, g/mol:	471.129791
ΔH_f, kcal/mol:	-144.45
Dipole, Da:	5.66
IP(EA), eV:	-8.95(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCCCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N(C)C)Cl

DOS

IR

Vibrations