Geometry & MOs

Info

ID:	413193
PubChem CID:	135086139
Reduced:	ClNSO2H16C18 (1)
Stoich.:	ABCD2E16F18 (1)
Weight, g/mol:	341.108565
ΔH_f, kcal/mol:	22.46
Dipole, Da:	8.85
IP(EA), eV:	-8.48(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-ethenyl-5-methoxyphenyl)ethynyl]-N,4-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)C#CC2=C(C=C(C=C2)Cl)C=C

DOS

IR

Vibrations