Geometry & MOs

Info

ID:	223632
PubChem CID:	85335339
Reduced:	OSN5H23C27 (1)
Stoich.:	ABC5D23E27 (1)
Weight, g/mol:	465.333159
ΔH_f, kcal/mol:	118.75
Dipole, Da:	5.04
IP(EA), eV:	-8.66(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-(hexanoylamino)-3-hydroxydecyl]amino]-[3-(trimethylazaniumyl)propoxy]phosphinate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC(COC3=CN=CC(=C3)C4=CC5=C(C=C4)NN=C5C6=CC=CS6)N

DOS

IR

Vibrations