Geometry & MOs

Info

ID:	382479
PubChem CID:	134973671
Reduced:	N2O6C17H26 (1)
Stoich.:	A2B6C17D26 (1)
Weight, g/mol:	288.082016
ΔH_f, kcal/mol:	-259.27
Dipole, Da:	5.17
IP(EA), eV:	-9.36(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,10S)-5-methyl-4,17-dioxa-8-thiatetracyclo[8.8.0.02,7.011,16]octadeca-5,11,13,15-tetraen-3-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1(C(=O)C(=C(N1C)CNC(=O)OC(C)(C)C)C)CC=O

DOS

IR

Vibrations