Geometry & MOs

Info

ID:

424330

PubChem CID:

135122260

Reduced:

O3N4C11H12 (1)

Stoich.:

A3B4C11D12 (1)

Weight, g/mol:

914.407523

ΔHf, kcal/mol:

-71.36

Dipole, Da:

4.48

IP(EA), eV:

 -9.3(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-3-[(2-aminoacetyl)-methylamino]-2-[[(2S)-2-[[(2S)-1-(benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoylamino]-3-naphthalen-2-ylpropanoyl]amino]-N-[[(2R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl]butanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NN2)C(=O)NCCNC(=O)O

DOS

IR

Vibrations