Geometry & MOs

Info

ID:	413565
PubChem CID:	135086514
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	514.185874
ΔH_f, kcal/mol:	-80.57
Dipole, Da:	5.43
IP(EA), eV:	-9.36(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-azido-4-methylphenyl)ethynyl]-4-methyl-N-[2-(3-trimethylsilylprop-1-enyl)phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(=C(CCCC(=O)O)C1=CC=CC=C1)C

DOS

IR

Vibrations