Geometry & MOs

Info

ID:

375630

PubChem CID:

134214189

Reduced:

FN3O4C19H20 (1)

Stoich.:

AB3C4D19E20 (1)

Weight, g/mol:

1162.768931

ΔHf, kcal/mol:

-152.1

Dipole, Da:

6.26

IP(EA), eV:

 -8.79(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[N'-[(5R)-5-amino-6-[3-[2-[4-(4-aminobutyl)phenoxy]ethyl-[3-[[(2R)-6-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propyl]amino]propylamino]-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

Drug info:

PubChemData

Smile

C[C@]1([C@H]2[C@@H]1C(=O)N[C@@H]2CCOC3=NC=CC4=CC(=C(C=C43)OC)C(=O)N)F

DOS

IR

Vibrations