Geometry & MOs

Info

ID:

214814

PubChem CID:

85083686

Reduced:

ClO5N6C31H47 (1)

Stoich.:

AB5C6D31E47 (1)

Weight, g/mol:

582.352969

ΔHf, kcal/mol:

-254.71

Dipole, Da:

6.34

IP(EA), eV:

 -8.78(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[4-[5-[4-[[3-amino-2-(4-hydroxyphenyl)propanoyl]amino]butyl]-6-methyl-3-oxopiperazin-2-yl]butyl]-3-(4-hydroxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC1C(NC(=O)C(N1)CCCCNC(=O)C(CC2=CC=C(C=C2)O)N)CCCCNC(=O)C(CN)C3=CC=C(C=C3)O.Cl

DOS

IR

Vibrations