Geometry & MOs

Info

ID:

222924

PubChem CID:

85333185

Reduced:

SCl2N4O6C29H30 (1)

Stoich.:

AB2C4D6E29F30 (1)

Weight, g/mol:

633.27584

ΔHf, kcal/mol:

-146.68

Dipole, Da:

1.72

IP(EA), eV:

 -9.45(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[1-[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CN(C(=O)C=CC(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3Cl)Cl)S(=O)(=O)N)OC

DOS

IR

Vibrations