Geometry & MOs

Info

ID:

449902

PubChem CID:

135302400

Reduced:

O2N5H27C30 (1)

Stoich.:

A2B5C27D30 (1)

Weight, g/mol:

1082.562961

ΔHf, kcal/mol:

71.1

Dipole, Da:

6.5

IP(EA), eV:

 -9.14(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-4-[[3-[8-[[(3S)-3-aminobutanoyl]amino]-7-[2-methyl-2-[[(3S)-4-[[(2S)-4-(naphthalen-1-ylamino)-4-oxobutan-2-yl]amino]-4-oxo-3-(3-phenylpropanoylamino)butanoyl]amino]propyl]naphthalen-2-yl]naphthalen-1-yl]amino]-4-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=NN=C(O1)[C@@H](C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CC(=C4)C5=CC6=CC=CC=C6C=N5

DOS

IR

Vibrations