Geometry & MOs

Info

ID:	440387
PubChem CID:	135230346
Reduced:	F2O3N7C27H27 (1)
Stoich.:	A2B3C7D27E27 (1)
Weight, g/mol:	348.226037
ΔH_f, kcal/mol:	-49.41
Dipole, Da:	5.73
IP(EA), eV:	-9.0(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxopropoxy)-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]acetamide

Drug info:

PubChemData

Smile

CCN1C[C@H]([C@@H](O1)C2=CC(=C(C=C2)F)F)NC(=O)NC3=C(C(=NN3C4=CC=CC=C4)C5=CN=C(N=C5)OC)C

DOS

IR

Vibrations