Geometry & MOs

Info

ID:	82501
PubChem CID:	49856108
Reduced:	N2O3C10H16 (2)
Stoich.:	A2B3C10D16 (2)
Weight, g/mol:	1070.719856
ΔH_f, kcal/mol:	-227.13
Dipole, Da:	2.88
IP(EA), eV:	-9.68(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(9S,11S)-17-bis(3,5-ditert-butylphenyl)phosphanyl-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-bis(3,5-ditert-butylphenyl)phosphane

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(OCC(O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OCC4=CN(N=N4)C[C@@H]5CCCN5)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(OCC(O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OCC4=CN(N=N4)C[C@@H]5CCCN5)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):