Geometry & MOs

Info

ID:	130365
PubChem CID:	51075731
Reduced:	FSN2O2C14H17 (1)
Stoich.:	ABC2D2E14F17 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-117.48
Dipole, Da:	5.01
IP(EA), eV:	-8.94(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-(2-oxoazepan-1-yl)propyl]butanamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CNC(=O)CSC2=CC=CC=C2F

DOS

IR

Vibrations