Geometry & MOs

Info

ID:	842
PubChem CID:	3425
Reduced:	SN2O3C12H18 (2)
Stoich.:	AB2C3D12E18 (2)
Weight, g/mol:	540.207627
ΔH_f, kcal/mol:	-252.28
Dipole, Da:	3.92
IP(EA), eV:	-9.34(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethylidene-4,21-di(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

CC=C1C(=O)NC(C(=O)OC2CC(=O)NC(C(=O)NC(CSSCCC=C2)C(=O)N1)C(C)C)C(C)C

DOS

IR

Vibrations