Geometry & MOs

Info

ID:	230733
PubChem CID:	87571781
Reduced:	ClOSF2N3H12C17 (1)
Stoich.:	ABCD2E3F12G17 (1)
Weight, g/mol:	700.264353
ΔH_f, kcal/mol:	4.43
Dipole, Da:	7.95
IP(EA), eV:	-8.68(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[4-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-6-hydroxyoxan-2-yl]methyl acetate

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

C1=CC=C(C(=C1)[C@H]2[C@](O2)(CN3C=NC(=S)N3)C4=C(C=C(C=C4)F)F)Cl

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

C1=CC=C(C(=C1)[C@H]2[C@](O2)(CN3C=NC(=S)N3)C4=C(C=C(C=C4)F)F)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):