Geometry & MOs

Info

ID:

80011

PubChem CID:

49832179

Reduced:

FN3O4C29H32 (1)

Stoich.:

AB3C4D29E32 (1)

Weight, g/mol:

828.280707

ΔHf, kcal/mol:

-174.85

Dipole, Da:

4.57

IP(EA), eV:

 -8.86(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (Z,3S)-5-chloro-3-[[(2R)-2-[[(2S)-2-[[(2S)-4-ethoxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutanoyl]amino]-5-methylsulfonylpent-4-enoate

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC(=O)NC2=C(C=C(C=C2)CCC(=O)NC3=C(C=C(C=C3)CO)F)C4=CC=CC=C4

DOS

IR

Vibrations