Geometry & MOs

Info

ID:	309321
PubChem CID:	126544756
Reduced:	NS2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	548.423448
ΔH_f, kcal/mol:	-114.94
Dipole, Da:	5.8
IP(EA), eV:	-8.42(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-[butoxy-[(2S)-5-(diaminomethylamino)-1-oxopentan-2-yl]amino]-2-[(2S)-5-(diaminomethylamino)-1-oxopentan-2-yl]hydrazinyl]-5-(diaminomethylamino)pentanal

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

COC[C@@H]1C([C@@H]([C@@H](O1)N2C=CC3=C(C2=S)SC=C3)O)OC

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

COC[C@@H]1C([C@@H]([C@@H](O1)N2C=CC3=C(C2=S)SC=C3)O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):