Geometry & MOs

Info

ID:	152373
PubChem CID:	56311288
Reduced:	FON3C27H30 (1)
Stoich.:	ABC3D27E30 (1)
Weight, g/mol:	451.230491
ΔH_f, kcal/mol:	-20.72
Dipole, Da:	3.79
IP(EA), eV:	-8.71(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC2=CC=CC=C2F)CCC(=O)NC3=CC=CC=C3C4=CC=CC=C4

DOS

IR

Vibrations