Geometry & MOs

Info

ID:	396540
PubChem CID:	135028700
Reduced:	NO5H21C23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	489.86145
ΔH_f, kcal/mol:	-141.09
Dipole, Da:	8.38
IP(EA), eV:	-8.14(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,13-dibromo-15-phenyl-12-thia-15lambda5-phosphatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,13-heptaene 15-oxide

Drug info:

PubChemData

Smile

CC1(CC(=C(C(=O)C1)C2C3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCO5)O)C

DOS

IR

Vibrations