Geometry & MOs

Info

ID:	323968
PubChem CID:	126676693
Reduced:	O7N9C14H25 (1)
Stoich.:	A7B9C14D25 (1)
Weight, g/mol:	379.206698
ΔH_f, kcal/mol:	-163.04
Dipole, Da:	1.66
IP(EA), eV:	-9.44(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,4R)-5-amino-4-[(2S,5S)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy-2,3-dihydroxycyclohexyl]guanidine

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](C1[C@H](C(C([C@H](O1)O[C@@H]2C(C[C@H](C(C2O)O)N=C(N)N)N=[N+]=[N-])N=[N+]=[N-])O)O)O

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](C1[C@H](C(C([C@H](O1)O[C@@H]2C(C[C@H](C(C2O)O)N=C(N)N)N=[N+]=[N-])N=[N+]=[N-])O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):