Geometry & MOs

Info

ID:

415470

PubChem CID:

135088465

Reduced:

SO6N7C34H43 (1)

Stoich.:

AB6C7D34E43 (1)

Weight, g/mol:

698.346169

ΔHf, kcal/mol:

-178.56

Dipole, Da:

3.18

IP(EA), eV:

 -8.42(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4S,7S,10R,16R,20S)-4-benzyl-20-hydroxy-7,8-dimethyl-14-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-10-(2-methylpropyl)-17-oxa-2,5,8,11,14-pentazabicyclo[14.3.1]icosane-3,6,9,12-tetrone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C2=NC(=NN2CC(=O)N1)C)CC3=CC=CC=C3)C(=O)CCSC4=CC5=C(C=C4)OCCO5)C(C)C

DOS

IR

Vibrations