Geometry & MOs

Info

ID:

45269

PubChem CID:

10510391

Reduced:

N5O21C51H87 (1)

Stoich.:

A5B21C51D87 (1)

Weight, g/mol:

1122.552905

ΔHf, kcal/mol:

-1012.98

Dipole, Da:

7.13

IP(EA), eV:

 -9.29(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-chloro-N-(2-phenylpropan-2-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C)(C)C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC(=O)C(C)(C)NC(=O)OC(C)(C)C)OC(=O)C(C)(C)NC(=O)OC(C)(C)C)OC(=O)C(C)(C)NC(=O)OC(C)(C)C)OC(=O)C(C)(C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations