Geometry & MOs

Info

ID:	406760
PubChem CID:	135078532
Reduced:	NSO2C31H41 (1)
Stoich.:	ABC2D31E41 (1)
Weight, g/mol:	343.1606
ΔH_f, kcal/mol:	-6.21
Dipole, Da:	7.26
IP(EA), eV:	-8.0(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-3-yn-2-yl-N-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C/C/2=C/CCCCCCCCCCCCC2)C3=CC=CC=C3C#C

DOS

IR

Vibrations