Geometry & MOs

Info

ID:

309478

PubChem CID:

126546531

Reduced:

NH19C20 (1)

Stoich.:

AB19C20 (1)

Weight, g/mol:

1022.461199

ΔHf, kcal/mol:

62.29

Dipole, Da:

1.56

IP(EA), eV:

 -8.8(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-anilino-3-[4-[[(3S)-4-[[(2R)-1-anilino-1-hydroxy-3-tritylsulfanylpropan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutyl]carbamoyloxy]phenyl]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=N3

DOS

IR

Vibrations