Geometry & MOs

Info

ID:

17589

PubChem CID:

506746

Reduced:

O6N7C35H51 (1)

Stoich.:

A6B7C35D51 (1)

Weight, g/mol:

665.390082

ΔHf, kcal/mol:

-246.13

Dipole, Da:

7.76

IP(EA), eV:

 -9.62(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(3S)-1,2-dioxo-1-[[(1S)-1-phenylpropyl]amino]pentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)NC(=O)C(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C2=NC=CN=C2

DOS

IR

Vibrations