Geometry & MOs

Info

ID:	438520
PubChem CID:	135228262
Reduced:	SN3O4C11H21 (1)
Stoich.:	AB3C4D11E21 (1)
Weight, g/mol:	833.371021
ΔH_f, kcal/mol:	-193.94
Dipole, Da:	4.85
IP(EA), eV:	-9.44(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-amino-3-[3-[3-[3-[3-amino-2-(3-methylbutanoylamino)-3-oxopropyl]sulfanylpropanoyl]-5-[3-(3-amino-3-oxopropyl)sulfanylpropanoyl]-1,3,5-triazinan-1-yl]-3-oxopropyl]sulfanyl-1-oxopropan-2-yl]-6-(diaminomethylideneamino)hexanamide

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)NC(CCC(=O)O)C(=O)N)NS

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)NC(CCC(=O)O)C(=O)N)NS

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):