Geometry & MOs

Info

ID:	322136
PubChem CID:	126668828
Reduced:	SN3O3F4H27C31 (1)
Stoich.:	AB3C3D4E27F31 (1)
Weight, g/mol:	551.113805
ΔH_f, kcal/mol:	-223.5
Dipole, Da:	5.59
IP(EA), eV:	-9.03(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-N-(6-fluoropyridin-2-yl)-4-methyl-4-[2-(2-oxo-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)phenyl]-2,3-dihydrochromene-7-sulfonamide

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=C/C1=NC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)[C@](CCO3)(C)C4=C(C=C(C=C4)C(F)(F)F)C5=NC(=C(C=C5)F)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

C/C=C/C1=NC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)[C@](CCO3)(C)C4=C(C=C(C=C4)C(F)(F)F)C5=NC(=C(C=C5)F)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):