Geometry & MOs

Info

ID:	214674
PubChem CID:	85083380
Reduced:	F3O3N6C30H31 (1)
Stoich.:	A3B3C6D30E31 (1)
Weight, g/mol:	572.207624
ΔH_f, kcal/mol:	-177.87
Dipole, Da:	2.71
IP(EA), eV:	-9.0(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dibenzyl-2,7-bis[(4-hydroxyphenyl)methyl]-1-oxo-8-oxa-2,7-diaza-1lambda5-phosphabicyclo[3.2.1]octane-4,5-diol

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C4C(N3)C5CNN(C5NC4C6=CC(=CC=C6)C(F)(F)F)C)O

DOS

IR

Vibrations