Geometry & MOs

Info

ID:	404238
PubChem CID:	135065514
Reduced:	PO4C22H31 (1)
Stoich.:	AB4C22D31 (1)
Weight, g/mol:	552.202538
ΔH_f, kcal/mol:	-226.34
Dipole, Da:	5.63
IP(EA), eV:	-8.62(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[[(4-methylphenyl)-[[2-(phenylmethoxycarbonylamino)acetyl]amino]methyl]-phenylphosphoryl]oxypropanoate

Drug info:

PubChemData

Smile

CCOP(=O)(C1=C(C=CC(=C1)C(C)(C)C)O)C2=C(C=CC(=C2)C(C)(C)C)O

DOS

IR

Vibrations