Geometry & MOs

Info

ID:	297418
PubChem CID:	117617095
Reduced:	FPN3O9C25H33 (1)
Stoich.:	ABC3D9E25F33 (1)
Weight, g/mol:	623.204409
ΔH_f, kcal/mol:	-465.5
Dipole, Da:	1.91
IP(EA), eV:	-9.53(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R,8S,10S,16Z)-3-fluoro-4-methoxy-3,10-dimethyl-8-oxo-8-phenoxy-7,12,26-trioxa-1,9,21-triaza-8lambda5-phosphatricyclo[19.3.1.12,5]hexacosa-16,23-diene-11,20,22,25-tetrone

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@@H](C(=O)OCCCC=C)N[P@](=O)(OCC1[C@H]([C@@](C(O1)N2C=CC(=O)NC2=O)(C)F)OC)OC3=CC=CC=C3

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@@H](C(=O)OCCCC=C)N[P@](=O)(OCC1[C@H]([C@@](C(O1)N2C=CC(=O)NC2=O)(C)F)OC)OC3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):