Geometry & MOs

Info

ID:	358322
PubChem CID:	127295867
Reduced:	SN3O4C19H33 (1)
Stoich.:	AB3C4D19E33 (1)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	-195.19
Dipole, Da:	5.89
IP(EA), eV:	-9.33(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[4-(3-hydroxynaphthalene-2-carbonyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCCN(CC1)C(=O)CC2CCCC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations