Geometry & MOs

Info

ID:	442860
PubChem CID:	135256629
Reduced:	FON10H23C28 (1)
Stoich.:	ABC10D23E28 (1)
Weight, g/mol:	435.22168
ΔH_f, kcal/mol:	111.14
Dipole, Da:	7.61
IP(EA), eV:	-9.34(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-5-oxohexanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C(=O)NCC2=CN=C(C=C2)C3=C(N=CC(=C3)F)C)C4=NC(=CC(=N4)NC5=NNC(=C5)C#N)C

DOS

IR

Vibrations