Geometry & MOs

Info

ID:	413513
PubChem CID:	135086462
Reduced:	NOSH8C9 (2)
Stoich.:	ABCD8E9 (2)
Weight, g/mol:	326.203451
ΔH_f, kcal/mol:	45.2
Dipole, Da:	4.94
IP(EA), eV:	-8.64(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-4-[(E)-1-phenylhept-1-enyl]benzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC#CSC2=CC=CC=C2)CC#N

DOS

IR

Vibrations