Geometry & MOs

Info

ID:	45704
PubChem CID:	10516683
Reduced:	ClF2H2N3O4C8 (1)
Stoich.:	AB2C2D3E4F8 (1)
Weight, g/mol:	277.053942
ΔH_f, kcal/mol:	-142.36
Dipole, Da:	3.97
IP(EA), eV:	-9.91(-2.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(4-methoxyphenyl)methyl]propane-1-sulfonamide

Drug info:

PubChemData

Smile

C12=C(C(=C(C(=C1[N+](=O)[O-])F)Cl)F)NC(=O)C(=O)N2

DOS

IR

Vibrations