Geometry & MOs

Info

ID:

184454

PubChem CID:

77162275

Reduced:

FO3N4C17H23 (1)

Stoich.:

AB3C4D17E23 (1)

Weight, g/mol:

625.395168

ΔHf, kcal/mol:

-152.54

Dipole, Da:

7.73

IP(EA), eV:

 -9.13(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[N-[2-[[2-[1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl(methyl)amino]-2-oxoethyl]amino]acetyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]ethyl]-N-propan-2-ylcarbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CC2NC(CC(=O)N2)N3CCOCC3)F

DOS

IR

Vibrations