Geometry & MOs

Info

ID:

179236

PubChem CID:

76454294

Reduced:

SN3O6C25H37 (1)

Stoich.:

AB3C6D25E37 (1)

Weight, g/mol:

703.430885

ΔHf, kcal/mol:

-244.48

Dipole, Da:

6.36

IP(EA), eV:

 -9.2(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[5-[[3-hydroxy-1-[[1-[[2-(1H-indol-3-yl)-1-phenylethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-6-methyl-1-oxoheptan-4-yl]amino]-5-oxopent-2-enyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(CCCN)CCC(C(CC1=CC=CC=C1)(N)OC(=O)N)(O)S(=O)(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations