Geometry & MOs

Info

ID:	370814
PubChem CID:	127340641
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	393.208613
ΔH_f, kcal/mol:	-85.34
Dipole, Da:	4.49
IP(EA), eV:	-8.95(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-cyclopentyl-1,4-diazepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4CC4

DOS

IR

Vibrations