Geometry & MOs

Info

ID:	127875
PubChem CID:	51020386
Reduced:	SO3C16H22 (1)
Stoich.:	AB3C16D22 (1)
Weight, g/mol:	280.157563
ΔH_f, kcal/mol:	-64.21
Dipole, Da:	2.49
IP(EA), eV:	-8.78(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,13S,14E)-14-ethylidene-16-methyl-9,16-diazatetracyclo[11.3.1.02,10.03,8]heptadeca-2(10),3,5,7-tetraen-11-one

Drug info:

PubChemData

Smile

C[C@@]1(CC[C@@H]2C[C@H]1OO[C@]2(C)CSC3=CC=CC=C3)O

DOS

IR

Vibrations