Geometry & MOs

Info

ID:

144673

PubChem CID:

53396006

Reduced:

ClO2N3C26H26 (1)

Stoich.:

AB2C3D26E26 (1)

Weight, g/mol:

1101.437186

ΔHf, kcal/mol:

-12.52

Dipole, Da:

5.28

IP(EA), eV:

 -9.18(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

acetic acid;N-[5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N.Cl

DOS

IR

Vibrations