Geometry & MOs

Info

ID:	449530
PubChem CID:	135299349
Reduced:	OPN2C35H48 (1)
Stoich.:	ABC2D35E48 (1)
Weight, g/mol:	467.361074
ΔH_f, kcal/mol:	-20.01
Dipole, Da:	11.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.942214
Charge, e:	0

Chem-info

IUPAC name:

4-[2-hydroxy-3-[methyl-[(10Z,13Z)-nonadeca-10,13-dienyl]amino]propoxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C)N1CCC(CC1)NC(=O)CCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations