Geometry & MOs

Info

ID:	406653
PubChem CID:	135078254
Reduced:	NSO2C20H27 (1)
Stoich.:	ABC2D20E27 (1)
Weight, g/mol:	289.11365
ΔH_f, kcal/mol:	-13.39
Dipole, Da:	6.94
IP(EA), eV:	-9.19(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2E)-hexa-2,5-dienyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C/C=C(/C)\CCC=C(C)C)CC#C

DOS

IR

Vibrations