Geometry & MOs

Info

ID:	159802
PubChem CID:	57288765
Reduced:	O3N4C27H32 (1)
Stoich.:	A3B4C27D32 (1)
Weight, g/mol:	364.220103
ΔH_f, kcal/mol:	-54.61
Dipole, Da:	5.85
IP(EA), eV:	-8.86(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octadec-9-enylsulfanylphosphonic acid

Drug info:

PubChemData

Smile

CCCCCC(CCC(=O)NCC1=CC=CC=C1)OC2=CC3=C(C=C2)NC4=NC(=O)C(=C)N4C3

DOS

IR

Vibrations