Geometry & MOs

Info

ID:	358432
PubChem CID:	127296000
Reduced:	FN3O3C20H30 (1)
Stoich.:	AB3C3D20E30 (1)
Weight, g/mol:	371.187878
ΔH_f, kcal/mol:	-175.33
Dipole, Da:	2.98
IP(EA), eV:	-8.7(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(1,1-dioxothiolan-3-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)NC(=O)NC2=C(C=CC(=C2)F)OCC3CCCO3

DOS

IR

Vibrations