Geometry & MOs

Info

ID:

421913

PubChem CID:

135116827

Reduced:

ClON3C13H20 (1)

Stoich.:

ABC3D13E20 (1)

Weight, g/mol:

638.306412

ΔHf, kcal/mol:

-35.78

Dipole, Da:

2.13

IP(EA), eV:

 -8.83(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,10S,13S,16S,19S,23S)-16-benzyl-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-23-hydroxy-12,13-dimethyl-22-oxa-3,6,12,15,18-pentazatricyclo[17.3.1.06,10]tricosane-5,11,14,17-tetrone

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N(C)CCCC2CCCO2)Cl

DOS

IR

Vibrations