Geometry & MOs

Info

ID:	150725
PubChem CID:	53790420
Reduced:	SN4O7C27H42 (1)
Stoich.:	AB4C7D27E42 (1)
Weight, g/mol:	451.342661
ΔH_f, kcal/mol:	-231.78
Dipole, Da:	6.05
IP(EA), eV:	-9.36(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminoethyl 3-octadecoxypropyl hydrogen phosphate

Drug info:

PubChemData

Smile

CC(CCCC1(C(O1)CC(C(C)CC2=CSC(=N2)CO)[N-][N+]#N)C)C(C(C)C(=O)C(C)(C)C(=O)CC(=O)O)O

DOS

IR

Vibrations