Geometry & MOs

Info

ID:

17203

PubChem CID:

488109

Reduced:

F2N3O6C44H51 (1)

Stoich.:

A2B3C6D44E51 (1)

Weight, g/mol:

755.374593

ΔHf, kcal/mol:

-303.43

Dipole, Da:

2.91

IP(EA), eV:

 -8.97(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[(2S)-4,4-difluoro-5-[[(3S)-2-methyl-6-phenylhexan-3-yl]amino]-3,5-dioxo-1-(4-phenylmethoxyphenyl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)[C@H](CCCC1=CC=CC=C1)NC(=O)C(C(=O)[C@H](CC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)OCC4=CC=CC=C4)(F)F

DOS

IR

Vibrations