Geometry & MOs

Info

ID:

436560

PubChem CID:

135205316

Reduced:

FN4O5C30H33 (1)

Stoich.:

AB4C5D30E33 (1)

Weight, g/mol:

417.178752

ΔHf, kcal/mol:

-189.29

Dipole, Da:

5.15

IP(EA), eV:

 -9.14(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[(R)-hydroxy-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-3-methylphenyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(C1CC1)N(CC2=CC=C(C=C2)F)C(=O)CN3C(=O)C4(CCC5=C4C=CC(=C5)NC(=O)C6(CCC6)N)OC3=O

DOS

IR

Vibrations