Geometry & MOs

Info

ID:	413512
PubChem CID:	135086461
Reduced:	SH24C27 (1)
Stoich.:	AB24C27 (1)
Weight, g/mol:	356.06532
ΔH_f, kcal/mol:	143.59
Dipole, Da:	2.53
IP(EA), eV:	-8.31(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-4-methyl-N-(3-phenylsulfanylprop-2-ynyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCCCCC#CC1=CC=CC=C1C2=CC=CC=C2SC#CC3=CC=CC=C3

DOS

IR

Vibrations