Geometry & MOs

Info

ID:	221230
PubChem CID:	85261599
Reduced:	N2O6C31H48 (1)
Stoich.:	A2B6C31D48 (1)
Weight, g/mol:	545.211981
ΔH_f, kcal/mol:	-324.12
Dipole, Da:	3.75
IP(EA), eV:	-8.68(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[diphenylphosphoryl(phenyl)methyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCCCOC(=O)NC1=C(C(=C2CCC3C(C2=C1)(CCCC3(C)C(=O)OC)C)NC(=O)OCCCC)C(C)C

DOS

IR

Vibrations