Geometry & MOs

Info

ID:	358037
PubChem CID:	127295582
Reduced:	SN2O3C19H34 (1)
Stoich.:	AB2C3D19E34 (1)
Weight, g/mol:	382.172642
ΔH_f, kcal/mol:	-170.66
Dipole, Da:	5.04
IP(EA), eV:	-9.36(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[4-[(2-fluorophenyl)methylsulfonyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)CS(=O)(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations