Geometry & MOs

Info

ID:	348264
PubChem CID:	127273329
Reduced:	FSO2N4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	354.226705
ΔH_f, kcal/mol:	-77.33
Dipole, Da:	3.96
IP(EA), eV:	-9.52(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1N2CCNC2=O)C(=O)C3=CN=C(S3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations