Geometry & MOs

Info

ID:	159730
PubChem CID:	57288676
Reduced:	SO3N5C11H13 (1)
Stoich.:	AB3C5D11E13 (1)
Weight, g/mol:	658.451483
ΔH_f, kcal/mol:	-38.13
Dipole, Da:	1.55
IP(EA), eV:	-9.01(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5,11,13,16,19-hexatert-butyl-17-tetracyclo[13.3.1.02,7.09,14]nonadeca-1(18),2(7),3,5,9(14),10,12,15(19),16-nonaenyl) dihydrogen phosphite

Drug info:

PubChemData

Smile

CC1=CC(=S)N2C(=N1)N=C(N2)C(=O)OC(C)(C)C(=O)N

DOS

IR

Vibrations