Geometry & MOs

Info

ID:

11855

PubChem CID:

122032

Reduced:

ClN2O8C35H43 (1)

Stoich.:

AB2C8D35E43 (1)

Weight, g/mol:

654.270794

ΔHf, kcal/mol:

-297.95

Dipole, Da:

6.59

IP(EA), eV:

 -8.63(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6R,10R,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

Drug info:

PubChemData

Smile

C[C@@H]1CNC(=O)[C@H](NC(=O)C=CC[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl

DOS

IR

Vibrations