Geometry & MOs

Info

ID:

421007

PubChem CID:

135115193

Reduced:

SO6N9C36H45 (1)

Stoich.:

AB6C9D36E45 (1)

Weight, g/mol:

688.322062

ΔHf, kcal/mol:

-174.58

Dipole, Da:

12.61

IP(EA), eV:

 -8.57(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,6R,9S,15S)-9-benzyl-13-(cyclopropylmethyl)-15-[(1R)-1-hydroxyethyl]-4-[(2R)-5-oxopyrrolidine-2-carbonyl]-19-oxa-4,7,10,13,16-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),20,22-triene-8,11,14,17-tetrone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=CNC=C5)C

DOS

IR

Vibrations