Geometry & MOs

Info

ID:	425439
PubChem CID:	135126326
Reduced:	N3O3F6H19C22 (1)
Stoich.:	A3B3C6D19E22 (1)
Weight, g/mol:	481.128312
ΔH_f, kcal/mol:	-385.45
Dipole, Da:	6.96
IP(EA), eV:	-9.26(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-[5-[(Z)-2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-fluoroethenyl]-2-fluorophenyl]-2-fluoro-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

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

CC(C(=O)NCC(C(F)(F)F)(F)F)(C(=O)N[C@H]1C2=CC=CC=C2C3=CC=CC=C3N(C1=O)C)F

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

CC(C(=O)NCC(C(F)(F)F)(F)F)(C(=O)N[C@H]1C2=CC=CC=C2C3=CC=CC=C3N(C1=O)C)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):