Geometry & MOs

Info

ID:	370802
PubChem CID:	127340617
Reduced:	SO3N5C17H29 (1)
Stoich.:	AB3C5D17E29 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-104.89
Dipole, Da:	6.16
IP(EA), eV:	-8.62(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-cyclopentyl-1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NCC(=O)N2CCCN(CC2)C3CCCC3

DOS

IR

Vibrations