Geometry & MOs

Info

ID:	387724
PubChem CID:	134986593
Reduced:	ClNO3C9H18 (1)
Stoich.:	ABC3D9E18 (1)
Weight, g/mol:	278.110553
ΔH_f, kcal/mol:	-170.26
Dipole, Da:	6.12
IP(EA), eV:	-8.74(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-1-butylsulfanyl-1-dimethoxyphosphoryl-2-methylpenta-1,4-diene

Drug info:

PubChemData

Smile

C1C[C@@]2(C[C@@H]([C@@H](C[NH+]2C1)O)O)CO.[Cl-]

DOS

IR

Vibrations