Geometry & MOs

Info

ID:	150354
PubChem CID:	53790042
Reduced:	NSO2C25H31 (1)
Stoich.:	ABC2D25E31 (1)
Weight, g/mol:	605.290822
ΔH_f, kcal/mol:	-43.03
Dipole, Da:	3.85
IP(EA), eV:	-8.57(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-amino-4-[2-[[2-[(2R,3R,4R,5R)-2-(butanoylamino)-4,5,6-trihydroxy-1-oxohexan-3-yl]oxyacetyl]amino]propanoylamino]-5-oxopentanoyl]amino]pentanoic 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

C1C[C@H]([C@H]([C@@H]1N2CCSCC2)CCC=O)OCC3=CC=C(C=C3)C4=CC=CC=C4

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

C1C[C@H]([C@H]([C@@H]1N2CCSCC2)CCC=O)OCC3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):