Geometry & MOs

Info

ID:	140438
PubChem CID:	52697765
Reduced:	ClFSN3O4C17H20 (1)
Stoich.:	ABCD3E4F17G20 (1)
Weight, g/mol:	448.02901
ΔH_f, kcal/mol:	-95.86
Dipole, Da:	11.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.900542
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-(diethylamino)ethyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Cl)S(=O)(=O)NC[C@H](C2=CC=C(C=C2)F)[NH+](C)C)[N+](=O)[O-]

DOS

IR

Vibrations