Geometry & MOs

Info

ID:

47252

PubChem CID:

10530952

Reduced:

S3O5N8C21H22 (1)

Stoich.:

A3B5C8D21E22 (1)

Weight, g/mol:

562.23891

ΔHf, kcal/mol:

-37.74

Dipole, Da:

8.12

IP(EA), eV:

 -9.03(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-3-[(2R,3R,4S,5R,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]sulfanylpent-3-en-2-one

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)SC/C=C/C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O)N

DOS

IR

Vibrations