Geometry & MOs

Info

ID:

425634

PubChem CID:

135127038

Reduced:

PO5C25H42 (1)

Stoich.:

AB5C25D42 (1)

Weight, g/mol:

702.456765

ΔHf, kcal/mol:

-251.15

Dipole, Da:

16.7

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.809840

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (3R,4R)-4-methoxy-4-[(2S)-1-[(3R,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-3-methyl-2-oxobutanoate

Drug info:

PubChemData

Smile

CCC(C)C(=O)OCC(C)(COC(C)CC)C(=O)OCC1=CC=C(C=C1)C[P+](C)(C)C

DOS

IR

Vibrations