Geometry & MOs

Info

ID:

17231

PubChem CID:

489390

Reduced:

N4O9C43H62 (1)

Stoich.:

A4B9C43D62 (1)

Weight, g/mol:

778.45168

ΔHf, kcal/mol:

-426.71

Dipole, Da:

3.18

IP(EA), eV:

 -9.64(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S)-2-[[(2R,6R)-2,6-dibenzyl-7-[[(2S)-1-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4,7-dioxoheptanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)[C@H](CC1=CC=CC=C1)CC(=O)C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC

DOS

IR

Vibrations