Geometry & MOs

Info

ID:	413911
PubChem CID:	135086862
Reduced:	ON2H5C6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	365.14495
ΔH_f, kcal/mol:	61.02
Dipole, Da:	3.18
IP(EA), eV:	-8.57(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethynyl-N-(2-hept-1-ynylphenyl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC2=C3C=C(N(C=C3N=C2C=C1)O)C(=O)NN

DOS

IR

Vibrations