Geometry & MOs

Info

ID:	406883
PubChem CID:	135078827
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	261.08235
ΔH_f, kcal/mol:	-50.1
Dipole, Da:	3.94
IP(EA), eV:	-9.05(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethynyl-4-methyl-N-pent-4-ynylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC/C(=N\N1C(=O)OC2C13CCC(C2)C3(C)C)/CC4=CC=CC=C4

DOS

IR

Vibrations