Geometry & MOs

Info

ID:

215181

PubChem CID:

85084323

Reduced:

N6O9C39H46 (1)

Stoich.:

A6B9C39D46 (1)

Weight, g/mol:

742.462913

ΔHf, kcal/mol:

-218.66

Dipole, Da:

2.23

IP(EA), eV:

 -8.65(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-[[1-[[1-[[1-[2-[(1-hydroxy-3-methylbutan-2-yl)carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1C(=O)NC(C(=O)NC(C(=O)NC2CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)NC(C(=O)N1)C)N(C2=O)C)OC)C)CC5=CC=C(C=C5)OC

DOS

IR

Vibrations