Geometry & MOs

Info

ID:	406758
PubChem CID:	135078530
Reduced:	NSO2H27C29 (1)
Stoich.:	ABC2D27E29 (1)
Weight, g/mol:	315.1293
ΔH_f, kcal/mol:	52.71
Dipole, Da:	6.55
IP(EA), eV:	-8.77(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclohexa-1,4-dien-1-ylethyl)-4-methyl-N-prop-2-ynylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC#C)CC2=CCC(=C(C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations