Geometry & MOs

Info

ID:	178086
PubChem CID:	76274905
Reduced:	SN3O5C21H25 (1)
Stoich.:	AB3C5D21E25 (1)
Weight, g/mol:	459.166177
ΔH_f, kcal/mol:	-130.46
Dipole, Da:	10.08
IP(EA), eV:	-8.62(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=C(C=C1)OCCOC)NC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations