Geometry & MOs

Info

ID:	45134
PubChem CID:	10508252
Reduced:	SeN2C29H31 (1)
Stoich.:	AB2C29D31 (1)
Weight, g/mol:	633.001491
ΔH_f, kcal/mol:	77.49
Dipole, Da:	1.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.131246
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)hydrazinyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=CC(=C3C=CC(=[N+](C)C)C=C3)[Se]C(=C2)C4=CC=C(C=C4)N(C)C)C

DOS

IR

Vibrations