Geometry & MOs

Info

ID:	17143
PubChem CID:	485796
Reduced:	FO2S2N5C18H22 (1)
Stoich.:	AB2C2D5E18F22 (1)
Weight, g/mol:	423.119895
ΔH_f, kcal/mol:	-62.09
Dipole, Da:	4.55
IP(EA), eV:	-9.13(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(5R)-3-[4-[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-thiadiazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidothioic acid

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)[C@@H](C1=NN=C(S1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CN=C(C)S)F)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

CC(C)[C@@H](C1=NN=C(S1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CN=C(C)S)F)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):