Geometry & MOs

Info

ID:

84139

PubChem CID:

49864501

Reduced:

SCl2N3O5H23C26 (1)

Stoich.:

AB2C3D5E23F26 (1)

Weight, g/mol:

505.22845

ΔHf, kcal/mol:

-159.74

Dipole, Da:

6.82

IP(EA), eV:

 -9.4(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,17S,18S,19S)-17-[tert-butyl(dimethyl)silyl]oxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-yl] benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N2CCC3=C(C(=C(C=C3C2)Cl)C(=O)N[C@@H](CNC(=O)C4=CC=CS4)C(=O)O)Cl

DOS

IR

Vibrations