Geometry & MOs

Info

ID:	324946
PubChem CID:	126678885
Reduced:	ClFON5C15H15 (1)
Stoich.:	ABCD5E15F15 (1)
Weight, g/mol:	652.364321
ΔH_f, kcal/mol:	5.09
Dipole, Da:	6.13
IP(EA), eV:	-8.89(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[2-[[1-amino-5-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2-methylhydrazinyl)oxan-2-yl]oxypentylidene]amino]ethyl]pentanamide

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

CCCC1=CC(=C(C(=C1)Cl)COC2=CC(=NC3=NNN=C23)N)F

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

CCCC1=CC(=C(C(=C1)Cl)COC2=CC(=NC3=NNN=C23)N)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):