Geometry & MOs

Info

ID:

49906

PubChem CID:

11534242

Reduced:

SO6N8C24H38 (1)

Stoich.:

AB6C8D24E38 (1)

Weight, g/mol:

568.281633

ΔHf, kcal/mol:

-268.56

Dipole, Da:

15.97

IP(EA), eV:

 -9.33(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[4-[2-[(1R)-1-acetamido-2-methylpropyl]-1-ethylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCC(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)N2

DOS

IR

Vibrations