Geometry & MOs

Info

ID:	370793
PubChem CID:	127340577
Reduced:	SN3O3C19H29 (1)
Stoich.:	AB3C3D19E29 (1)
Weight, g/mol:	264.220164
ΔH_f, kcal/mol:	-111.93
Dipole, Da:	5.18
IP(EA), eV:	-8.63(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopentyl-(4-cyclopentyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCN(CC1)C2CCCC2)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations