Geometry & MOs

Info

ID:	181482
PubChem CID:	76749565
Reduced:	NO3C17H26 (2)
Stoich.:	AB3C17D26 (2)
Weight, g/mol:	466.165759
ΔH_f, kcal/mol:	-282.63
Dipole, Da:	4.34
IP(EA), eV:	-9.36(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[[azaniumyl(phenyl)methyl]-hydroxyphosphoryl]methyl]-3-(4-phenylphenyl)propanoyl]amino]acetate

Drug info:

PubChemData

Smile

CCCC(CC(=O)C1C2C(C2(C)C)CN1C(=O)C(C3CCCCC3)NC(=O)OC4CCC(C4)C)C(=O)C(=O)CCC=C

DOS

IR

Vibrations