Geometry & MOs

Info

ID:	184449
PubChem CID:	77162270
Reduced:	FCl2O2N5H26C27 (1)
Stoich.:	AB2C2D5E26F27 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	-13.32
Dipole, Da:	5.48
IP(EA), eV:	-9.0(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzothiophen-4-yl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2CN(CC2C1)NC(=O)OC3=NN(C4=C3CNCC4=CC5=CC=C(C=C5)F)C6=C(C=C(C=C6)Cl)Cl

DOS

IR

Vibrations