Geometry & MOs

Info

ID:	318671
PubChem CID:	126652676
Reduced:	NPO10C16H28 (1)
Stoich.:	ABC10D16E28 (1)
Weight, g/mol:	495.206424
ΔH_f, kcal/mol:	-437.87
Dipole, Da:	6.22
IP(EA), eV:	-9.35(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(1R)-1-[(3R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-2-(2-ethoxycarbonylhydrazinyl)ethoxy]-2-methoxy-3-oxopropyl] formate

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@H]1[C@H](C([C@H](C(O1)CO)O)O[C@@H](CP)OC(C(C=O)OC)OC=O)NC(=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

C[C@H]1[C@H](C([C@H](C(O1)CO)O)O[C@@H](CP)OC(C(C=O)OC)OC=O)NC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):