Geometry & MOs

Info

ID:	171740
PubChem CID:	75420597
Reduced:	F2N3O3H15C16 (1)
Stoich.:	A2B3C3D15E16 (1)
Weight, g/mol:	346.135114
ΔH_f, kcal/mol:	-102.04
Dipole, Da:	2.46
IP(EA), eV:	-8.87(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-phenylethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)[N+](=O)[O-])NCCNC(=O)C2=C(C=CC=C2F)F

DOS

IR

Vibrations