Geometry & MOs

Info

ID:

375636

PubChem CID:

134214206

Reduced:

N3O4C21H27 (1)

Stoich.:

A3B4C21D27 (1)

Weight, g/mol:

1226.800232

ΔHf, kcal/mol:

-154.47

Dipole, Da:

3.75

IP(EA), eV:

 -8.92(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H]1C[C@H](NC1=O)CCOC2=NC=CC3=CC(=C(C=C32)OC(C)C)C(=O)N

DOS

IR

Vibrations