Geometry & MOs

Info

ID:	299814
PubChem CID:	117695714
Reduced:	NPO8C29H36 (1)
Stoich.:	ABC8D29E36 (1)
Weight, g/mol:	592.233839
ΔH_f, kcal/mol:	-319.13
Dipole, Da:	4.3
IP(EA), eV:	-9.1(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[ethoxy(phenyl)phosphoryl]-4-[2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl]ethynyl]pyridin-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCOP(=O)(C1=CC=CC=C1)C2=CC(=CC(=N2)COC(=O)C)C3=CC=C(C=C3)OCCOCCOCCOC

DOS

IR

Vibrations