Geometry & MOs

Info

ID:	222921
PubChem CID:	85333166
Reduced:	SO8N9C25H43 (1)
Stoich.:	AB8C9D25E43 (1)
Weight, g/mol:	629.458831
ΔH_f, kcal/mol:	-394.79
Dipole, Da:	6.37
IP(EA), eV:	-9.03(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[[6-amino-2-[[6-amino-2-[[2-(2,6-diaminohexanoylamino)-3-methylbutanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid

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

CC(C)CC(C(=O)NCC(=O)N)NC(=O)C1CCCN1C(=O)C(CS)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)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

CC(C)CC(C(=O)NCC(=O)N)NC(=O)C1CCCN1C(=O)C(CS)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):