Geometry & MOs

Info

ID:

317489

PubChem CID:

126638884

Reduced:

ClO3N4C14H19 (1)

Stoich.:

AB3C4D14E19 (1)

Weight, g/mol:

713.353697

ΔHf, kcal/mol:

-106.47

Dipole, Da:

5.77

IP(EA), eV:

 -9.34(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-N-[(1S)-1-[[[(1R)-5-amino-1-(3-phenylpropanoylcarbamoylamino)pentyl]-(3-phenylpropanoyl)carbamoyl]amino]-2-phenylethyl]-2-oxopropanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCN1C(=CC2=CN=C(N=C21)Cl)CO

DOS

IR

Vibrations