Geometry & MOs

Info

ID:

188416

PubChem CID:

77714641

Reduced:

SiN3O10C43H76 (1)

Stoich.:

AB3C10D43E76 (1)

Weight, g/mol:

560.29226

ΔHf, kcal/mol:

-517.52

Dipole, Da:

7.37

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753704

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(3,5-difluorophenyl)-3-hydroxy-5-(triazolidin-4-yl)pentan-2-yl]-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide

Drug info:

PubChemData

Smile

CC(C)C(CC(C(CC(C(C)C)(C(=O)O)O[Si](C)C)C(C)(C)C)NC(=O)OC(C)(C)C)CNC(=O)C1=C(C=C(C=C1)OCCN2CCOCC2)OCCCCOC

DOS

IR

Vibrations