Geometry & MOs

Info

ID:

214861

PubChem CID:

85083758

Reduced:

O10C35H46 (1)

Stoich.:

A10B35C46 (1)

Weight, g/mol:

626.313806

ΔHf, kcal/mol:

-433.04

Dipole, Da:

2.37

IP(EA), eV:

 -9.28(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[3-methyl-1-[2-[[3-(2-methylpropyl)-1,1-dioxo-5-(3-phenylpropanoyl)-1,2,5-thiadiazolidin-2-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC=C(C)C(=O)OCC1(C2CC(C3(C(C2(C(CC(=O)O1)OC(=O)C)C)CC(C4(C3=CCC4C5=COC=C5)C)OC(=O)C)C)O)C

DOS

IR

Vibrations