Geometry & MOs

Info

ID:

89763

PubChem CID:

49964411

Reduced:

BrO3N6H21C23 (1)

Stoich.:

AB3C6D21E23 (1)

Weight, g/mol:

661.332293

ΔHf, kcal/mol:

96.12

Dipole, Da:

6.88

IP(EA), eV:

 -8.62(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]-5-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=N/N=C(\C2=NON=C2N)/N)Br)OCC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations