Geometry & MOs

Info

ID:	415788
PubChem CID:	135088789
Reduced:	ClSN3O5C13H18 (1)
Stoich.:	ABC3D5E13F18 (1)
Weight, g/mol:	309.14887
ΔH_f, kcal/mol:	-196.51
Dipole, Da:	4.24
IP(EA), eV:	-9.48(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]-3-methoxypropan-1-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1CN(C[C@@H]1O)C(=O)C2=CNC(=O)C(=C2)Cl

DOS

IR

Vibrations