Geometry & MOs

Info

ID:	224775
PubChem CID:	85350660
Reduced:	BrO5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	400.160935
ΔH_f, kcal/mol:	-207.91
Dipole, Da:	3.98
IP(EA), eV:	-9.95(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-ethylidene-9-phenylsulfanyl-1,11-diazapentacyclo[12.3.2.02,7.08,17.011,16]nonadeca-2,4,6,8(17)-tetraen-18-one

Drug info:

PubChemData

Smile

CCCC(=O)OCCC=C1C(C(=C(C1=O)OC(=O)CCC)Br)C

DOS

IR

Vibrations