Geometry & MOs

Info

ID:	323661
PubChem CID:	126675675
Reduced:	ON6C14H20 (1)
Stoich.:	AB6C14D20 (1)
Weight, g/mol:	788.341294
ΔH_f, kcal/mol:	9.53
Dipole, Da:	2.81
IP(EA), eV:	-8.43(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[N'-[[(2R,5S)-5-[(2R,5R,6R)-3,5-diazido-2-[(2S,5S)-3-azido-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-3,4-dihydroxyoxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

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

C1CNCCC1N=C/C(=C\N)/C2=CC(=C(N=C2)N)C(=O)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

C1CNCCC1N=C/C(=C\N)/C2=CC(=C(N=C2)N)C(=O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):