Geometry & MOs

Info

ID:

180344

PubChem CID:

76617868

Reduced:

O7N11C48H59 (1)

Stoich.:

A7B11C48D59 (1)

Weight, g/mol:

382.178024

ΔHf, kcal/mol:

-214.87

Dipole, Da:

10.16

IP(EA), eV:

 -8.44(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-ethyl-3-[(4-ethynylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCCNC(=O)C(NC(=O)C(NC(=O)C3(CC4=CC=CC=C4C3)NC(=O)C5CCCN5C2=O)CC6=CNC7=CC=CC=C76)CCCN=C(N)N

DOS

IR

Vibrations