Geometry & MOs

Info

ID:	427554
PubChem CID:	135159826
Reduced:	SF2O4N5C21H23 (1)
Stoich.:	AB2C4D5E21F23 (1)
Weight, g/mol:	552.08422
ΔH_f, kcal/mol:	-172.89
Dipole, Da:	7.11
IP(EA), eV:	-9.04(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R,6S)-3-(2-bromo-4-fluorophenyl)-N-ethenyl-4-[ethoxy(hydroxy)methyl]-6-(2-oxo-1,3-oxazolidin-3-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1-carboximidothioate

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

COC(=O)C1=C2C[C@@H](CN2C(=N[C@H]1C3=C(C=C(C=C3)F)F)C4=NC=CCCC4)NS(=O)(=O)N

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

COC(=O)C1=C2C[C@@H](CN2C(=N[C@H]1C3=C(C=C(C=C3)F)F)C4=NC=CCCC4)NS(=O)(=O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):