Geometry & MOs

Info

ID:	81990
PubChem CID:	49855448
Reduced:	O2N6C25H26 (1)
Stoich.:	A2B6C25D26 (1)
Weight, g/mol:	364.16509
ΔH_f, kcal/mol:	48.12
Dipole, Da:	6.61
IP(EA), eV:	-8.86(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(E)-but-2-enyl]-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C2=NC=C(N2)C3=CC=C(C=C3)C4=CC5=C(C=C4)ON=C5NC(=O)[C@@H]6CCCN6

DOS

IR

Vibrations