Geometry & MOs

Info

ID:	330468
PubChem CID:	127247875
Reduced:	FSN3O3C15H22 (1)
Stoich.:	ABC3D3E15F22 (1)
Weight, g/mol:	344.115441
ΔH_f, kcal/mol:	-155.79
Dipole, Da:	6.17
IP(EA), eV:	-8.88(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-ethyl-1,2-oxazole-3-carbonyl)-4-methylsulfonyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC(C1)C(=O)N)CCC2=CC=C(C=C2)F

DOS

IR

Vibrations