Geometry & MOs

Info

ID:	215035
PubChem CID:	85084034
Reduced:	F3O3N8C35H41 (1)
Stoich.:	A3B3C8D35E41 (1)
Weight, g/mol:	674.254574
ΔH_f, kcal/mol:	-99.27
Dipole, Da:	5.19
IP(EA), eV:	-8.2(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1H-inden-1-yl 3-[[2-(diphenoxyphosphorylmethylamino)-3-(4-phenylphenyl)propanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C4NNNN4)OCC(=O)N5CCN(CC5)C6=CC=CC=C6OC)CC(F)(F)F

DOS

IR

Vibrations