Geometry & MOs

Info

ID:	49749
PubChem CID:	11533725
Reduced:	ClN6O7C22H25 (1)
Stoich.:	AB6C7D22E25 (1)
Weight, g/mol:	520.188876
ΔH_f, kcal/mol:	-222.17
Dipole, Da:	8.86
IP(EA), eV:	-9.34(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[1-[2-[2-(carbamoylamino)-4-chlorophenoxy]acetyl]-4-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]acetate

Drug info:

PubChemData

Smile

CCCC1=NC=CN1C2=NC(=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)Cl

DOS

IR

Vibrations