Geometry & MOs

Info

ID:

383235

PubChem CID:

134974855

Reduced:

NSiO2C21H29 (1)

Stoich.:

ABC2D21E29 (1)

Weight, g/mol:

966.329712

ΔHf, kcal/mol:

-96.83

Dipole, Da:

1.93

IP(EA), eV:

 -8.89(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-acetamido-3-[[(2R)-2-acetamido-3-[[4,5-dihydroxy-6-(hydroxymethyl)-2-[(2,3,4,5,6-pentahydroxycyclohexyl)methyl]oxan-3-yl]amino]-3-oxopropyl]disulfanyl]-N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(2,3,4,5,6-pentahydroxycyclohexyl)methyl]oxan-3-yl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1[C@@H](OC(=O)N[C@@H](C)C2=CC=CC=C2)[Si](C)(C)C

DOS

IR

Vibrations