Geometry & MOs

Info

ID:	154022
PubChem CID:	56313382
Reduced:	FO2N4C23H33 (1)
Stoich.:	AB2C4D23E33 (1)
Weight, g/mol:	474.173705
ΔH_f, kcal/mol:	-121.97
Dipole, Da:	5.28
IP(EA), eV:	-8.93(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]sulfonylpiperazin-2-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)N2CCC(CC2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations