Geometry & MOs

Info

ID:	389088
PubChem CID:	134991119
Reduced:	NSO3C13H23 (2)
Stoich.:	ABC3D13E23 (2)
Weight, g/mol:	702.354426
ΔH_f, kcal/mol:	-319.77
Dipole, Da:	3.34
IP(EA), eV:	-9.37(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylphenyl)-(3,5-dimethylphenyl)-[11-[(3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]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

C[C@@]1(C[C@@H]2CCC1(C2(C)C)S(=O)(=O)N[C@@H]3CCCC[C@H]3NS(=O)(=O)C45CC[C@@H](C4(C)C)CC5(C)O)O

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

C[C@@]1(C[C@@H]2CCC1(C2(C)C)S(=O)(=O)N[C@@H]3CCCC[C@H]3NS(=O)(=O)C45CC[C@@H](C4(C)C)CC5(C)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):