Geometry & MOs

Info

ID:	143962
PubChem CID:	53288264
Reduced:	SN2O4C15H24 (1)
Stoich.:	AB2C4D15E24 (1)
Weight, g/mol:	394.136257
ΔH_f, kcal/mol:	-174.51
Dipole, Da:	9.26
IP(EA), eV:	-8.41(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]butanamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCCN(C1=CC(=CC=C1)OC)S(=O)(=O)C

DOS

IR

Vibrations