Geometry & MOs

Info

ID:

224509

PubChem CID:

85344061

Reduced:

NSF3O8C43H48 (1)

Stoich.:

ABC3D8E43F48 (1)

Weight, g/mol:

798.475209

ΔHf, kcal/mol:

-396.47

Dipole, Da:

6.42

IP(EA), eV:

 -8.95(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[3-[5-[[4-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-4-oxobutanoyl]amino]pentylamino]-3-oxopropyl]-N-[4-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC(C)C1CC(C(C(O1)C(C)(C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)(OC(=O)C(F)(F)F)SC5=CC=CC=N5

DOS

IR

Vibrations