Geometry & MOs

Info

ID:	406976
PubChem CID:	135079049
Reduced:	NSO2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	305.14495
ΔH_f, kcal/mol:	-47.07
Dipole, Da:	4.93
IP(EA), eV:	-9.36(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-6-methylhept-2-enyl]-N-prop-2-ynylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C2CCCCC=C2

DOS

IR

Vibrations