Geometry & MOs

Info

ID:	390804
PubChem CID:	135001037
Reduced:	OC12H12 (2)
Stoich.:	AB12C12 (2)
Weight, g/mol:	277.11365
ΔH_f, kcal/mol:	-9.25
Dipole, Da:	3.74
IP(EA), eV:	-8.94(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2Z)-1-cyclopropylpenta-2,4-dienyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]([C@@H](C/C=C/C2=CC=CC=C2)C3=CC=CC=C3)O

DOS

IR

Vibrations