Geometry & MOs

Info

ID:

59855

PubChem CID:

24899874

Reduced:

O2N3C93H103 (1)

Stoich.:

A2B3C93D103 (1)

Weight, g/mol:

379.163742

ΔHf, kcal/mol:

241.82

Dipole, Da:

4.82

IP(EA), eV:

 -8.21(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[tert-butyl(dimethyl)silyl]oxy-N-hex-5-en-2-ynyl-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(C)(C)C)(C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)NCC#CC#CCOCC#CC5=NC(=CC(=C5)N(C)C)C#CCOC6=CC=C(C=C6)C(C7=CC=C(C=C7)C(C)(C)C)(C8=CC=C(C=C8)C(C)(C)C)C9=CC=C(C=C9)C(C)(C)C

DOS

IR

Vibrations