Geometry & MOs

Info

ID:

375633

PubChem CID:

134214202

Reduced:

FN3O4C20H24 (1)

Stoich.:

AB3C4D20E24 (1)

Weight, g/mol:

1262.821361

ΔHf, kcal/mol:

-200.38

Dipole, Da:

10.1

IP(EA), eV:

-8.89(-1.17)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[3-[2-[4-(4-aminobutyl)phenoxy]ethyl-[3-[[(2S)-6-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propyl]amino]propylamino]-6-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-1-oxohexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C2C=CN=C(C2=C1)OCC[C@@H]3C[C@@](C(=O)N3)(C)F)C(=O)N

DOS

IR

Vibrations