Geometry & MOs

Info

ID:	330456
PubChem CID:	127247860
Reduced:	FSN3O4C14H18 (1)
Stoich.:	ABC3D4E14F18 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-191.47
Dipole, Da:	6.67
IP(EA), eV:	-9.7(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)N)S(=O)(=O)C2=CC=CC(=C2)F

DOS

IR

Vibrations