Geometry & MOs

Info

ID:

179448

PubChem CID:

76484617

Reduced:

SN3O6C23H36 (1)

Stoich.:

AB3C6D23E36 (1)

Weight, g/mol:

601.347549

ΔHf, kcal/mol:

-266.29

Dipole, Da:

4.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.760580

Charge, e:

 0

Chem-info

IUPAC name:

3,4-dihydroxy-5-[[3-(1H-imidazol-5-yl)-2-[(2-phenoxyacetyl)amino]propanoyl]amino]-7-methyl-N-(2-methylbutanoyl)-2-propan-2-yloctanamide

Drug info:

PubChemData

Smile

CC1CCC[N+]1(C(=O)CC(C2=CN(C=N2)C(=O)OC(C)(C)C)SC(=O)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations