Geometry & MOs

Info

ID:	418072
PubChem CID:	135103463
Reduced:	FSN2O4C15H21 (1)
Stoich.:	ABC2D4E15F21 (1)
Weight, g/mol:	314.166414
ΔH_f, kcal/mol:	-202.32
Dipole, Da:	5.16
IP(EA), eV:	-9.61(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methyloxolane-2-carbonyl)-1,4-diazepan-1-yl]-3-methylsulfanylpropan-1-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CC2=CC(=CC=C2)F

DOS

IR

Vibrations