Geometry & MOs

Info

ID:

44913

PubChem CID:

10506496

Reduced:

NPO6C30H34 (1)

Stoich.:

ABC6D30E34 (1)

Weight, g/mol:

535.325751

ΔHf, kcal/mol:

-259.98

Dipole, Da:

2.96

IP(EA), eV:

 -9.24(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoyl]amino]heptanoic acid

Drug info:

PubChemData

Smile

CCOP(=O)(CC(=O)N1[C@@H](CCC1=O)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OCC

DOS

IR

Vibrations