Geometry & MOs

Info

ID:	308198
PubChem CID:	125317245
Reduced:	ClSN3O8C28H30 (1)
Stoich.:	ABC3D8E28F30 (1)
Weight, g/mol:	603.144214
ΔH_f, kcal/mol:	-300.81
Dipole, Da:	6.67
IP(EA), eV:	-9.19(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5S,6S)-5-acetamido-3,4-diacetyloxy-6-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyloxan-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

CC(=O)N[C@H]1[C@H]([C@H]([C@H](O[C@H]1SC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl)COC(=O)C)OC(=O)C)OC(=O)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

CC(=O)N[C@H]1[C@H]([C@H]([C@H](O[C@H]1SC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl)COC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):