Geometry & MOs

Info

ID:	153610
PubChem CID:	56312879
Reduced:	FSO2N3C20H24 (1)
Stoich.:	ABC2D3E20F24 (1)
Weight, g/mol:	359.200905
ΔH_f, kcal/mol:	-83.68
Dipole, Da:	5.27
IP(EA), eV:	-9.05(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CCNC(=O)C2=CSC=C2)CC3=CC=CC=C3F

DOS

IR

Vibrations