Geometry & MOs

Info

ID:	324486
PubChem CID:	126677747
Reduced:	FO3N5C20H20 (1)
Stoich.:	AB3C5D20E20 (1)
Weight, g/mol:	727.386257
ΔH_f, kcal/mol:	-87.26
Dipole, Da:	5.27
IP(EA), eV:	-9.4(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[formyl-[6-[[methyl-(4-piperidin-1-ylpiperidin-1-yl)phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]amino]-N,2-dimethylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=C(C1=O)C(=CC(=N2)C3=C(C=CC=C3F)C#N)NNC

DOS

IR

Vibrations