Geometry & MOs

Info

ID:	177009
PubChem CID:	76125490
Reduced:	S2N6O7C15H16 (1)
Stoich.:	A2B6C7D15E16 (1)
Weight, g/mol:	743.546505
ΔH_f, kcal/mol:	-152.98
Dipole, Da:	12.17
IP(EA), eV:	-9.66(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminoethyl (2,3-dihydroxy-3-octadec-9-enoyl-4-oxohenicos-12-enyl) hydrogen phosphate

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)ON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O

DOS

IR

Vibrations