Geometry & MOs

Info

ID:	47143
PubChem CID:	10529953
Reduced:	O2S2N5C27H29 (1)
Stoich.:	A2B2C5D27E29 (1)
Weight, g/mol:	521.97661
ΔH_f, kcal/mol:	31.62
Dipole, Da:	4.87
IP(EA), eV:	-8.5(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-2-phenyl-10,14-diselena-2lambda5-phosphatricyclo[14.4.0.03,8]icosa-1(20),3,5,7,16,18-hexaen-12-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)SC)NC(=O)N(CC2=CC(=CC=C2)C3=CC=NN3)CC4=CC(=CC=C4)OC)SC

DOS

IR

Vibrations