Geometry & MOs

Info

ID:	395101
PubChem CID:	135024658
Reduced:	BrPO2S2H10C16 (1)
Stoich.:	ABC2D2E10F16 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-4.51
Dipole, Da:	5.97
IP(EA), eV:	-9.37(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,9S)-2-hydroxy-5-methyl-5-azatetracyclo[10.4.1.01,9.09,14]heptadecane-10,16-dione

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(S1)C3=C(P2(=O)C4=CC=CC=C4)C=C(S3)Br

DOS

IR

Vibrations