Geometry & MOs

Info

ID:	225854
PubChem CID:	87235756
Reduced:	NO2C11H23 (1)
Stoich.:	AB2C11D23 (1)
Weight, g/mol:	515.170904
ΔH_f, kcal/mol:	-127.54
Dipole, Da:	2.82
IP(EA), eV:	-9.43(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]phenoxy]-phosphorosoamino]propanoate

Drug info:

PubChemData

Smile

CCC(C)OCCC(=O)N(CC)CC

DOS

IR

Vibrations