Geometry & MOs

Info

ID:	216944
PubChem CID:	85087019
Reduced:	SO3N4H12C14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	318.136828
ΔH_f, kcal/mol:	93.73
Dipole, Da:	4.13
IP(EA), eV:	-9.05(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,3-diisocyano-4-(4-methoxyphenyl)but-1-enyl]-4-methoxybenzene

Drug info:

PubChemData

Smile

CN(C)CCN=C1C=CC(=O)C2=C1C(=O)C3=NSN=C3C2=O

DOS

IR

Vibrations