Geometry & MOs

Info

ID:	170739
PubChem CID:	75273302
Reduced:	ON2S2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	564.138228
ΔH_f, kcal/mol:	55.43
Dipole, Da:	2.26
IP(EA), eV:	-8.64(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

21-(methylsulfonylmethyl)-7-propan-2-yl-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone

Drug info:

PubChemData

Smile

CN1C=CC=C1CN(CC2=CC=CS2)C(=O)C=CC3=CSC=C3

DOS

IR

Vibrations