Geometry & MOs

Info

ID:	145612
PubChem CID:	53556870
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	321.01951
ΔH_f, kcal/mol:	-19.01
Dipole, Da:	3.55
IP(EA), eV:	-8.88(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis(cyanomethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C(C)N1C=CC=N1)NCC2=C3C(=CC=C2)OCCO3

DOS

IR

Vibrations