Geometry & MOs

Info

ID:

225329

PubChem CID:

85756481

Reduced:

ClN4H13C16 (1)

Stoich.:

AB4C13D16 (1)

Weight, g/mol:

699.322791

ΔHf, kcal/mol:

152.84

Dipole, Da:

1.98

IP(EA), eV:

 -8.83(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-[[1-[[1-[[1-amino-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC#CCN(C1=CC=CC=C1)C2=C(C=CC(=C2)Cl)N=[N+]=[N-]

DOS

IR

Vibrations