Geometry & MOs

Info

ID:	153305
PubChem CID:	56312485
Reduced:	FSN3O4C21H28 (1)
Stoich.:	ABC3D4E21F28 (1)
Weight, g/mol:	361.216555
ΔH_f, kcal/mol:	-161.86
Dipole, Da:	1.89
IP(EA), eV:	-8.93(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=CC=C(O1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations