Geometry & MOs

Info

ID:	180678
PubChem CID:	76668225
Reduced:	ON7C23H29 (1)
Stoich.:	AB7C23D29 (1)
Weight, g/mol:	443.216401
ΔH_f, kcal/mol:	46.21
Dipole, Da:	5.6
IP(EA), eV:	-8.82(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-butylsulfanylcyclobutyl)sulfanyl-4,8-dioxononan-5-yl]-4-oxopentanamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C(=O)N2CCCCC2C3=NN4C=C(C(=NC4=C3)N5CCC(C5)N)C

DOS

IR

Vibrations