Geometry & MOs

Info

ID:

150904

PubChem CID:

53790601

Reduced:

ClSN2C36H43 (1)

Stoich.:

ABC2D36E43 (1)

Weight, g/mol:

583.285343

ΔHf, kcal/mol:

37.98

Dipole, Da:

2.45

IP(EA), eV:

 -7.77(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S)-3-acetamido-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCN(CC)C1=CC(=C(C=C1)C(C2=C(C=C(C=C2)N(CC)CC)C)C3=CC=CC=C3SCC4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations