Geometry & MOs

Info

ID:

222954

PubChem CID:

85333462

Reduced:

SO12C37H40 (1)

Stoich.:

AB12C37D40 (1)

Weight, g/mol:

709.401041

ΔHf, kcal/mol:

-459.45

Dipole, Da:

4.87

IP(EA), eV:

 -8.79(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-5-[2-[[1-[[1-(1-carboxyethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1CC(CC(C1O)CCOS(=O)(=O)C2=CC=C(C=C2)C)OC3CC(CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)C)O

DOS

IR

Vibrations