Geometry & MOs

Info

ID:

180143

PubChem CID:

76584385

Reduced:

NH18C19 (4)

Stoich.:

AB18C19 (4)

Weight, g/mol:

694.317806

ΔHf, kcal/mol:

299.01

Dipole, Da:

29.81

IP(EA), eV:

 -4.69(-2.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 5-[[(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-[(2-fluorophenyl)methyl]amino]methyl]-4-[[4-(2-fluoropyridin-3-yl)phenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC=C4C(C5=CC=CC=C5N4C)(CC6=CC=CC=C6)CC7=CC=C(C=C7)CC8(C9=CC=CC=C9N(C8=CC=CC1=[N+](C2=C(C1(C)C)C1=CC=CC=C1C=C2)C)C)CC1=CC=CC=C1)C

DOS

IR

Vibrations