Geometry & MOs

Info

ID:

145195

PubChem CID:

53476794

Reduced:

SF3O3N4C37H41 (1)

Stoich.:

AB3C3D4E37F41 (1)

Weight, g/mol:

715.429547

ΔHf, kcal/mol:

-211.24

Dipole, Da:

11.89

IP(EA), eV:

 -8.43(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(6R,14R,15S,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-yl] 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl carbonate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=C2C=CC(=C3)S(=O)(=O)C)C4=CC(=CC=C4)C(F)(F)F)CN5CCC(CC5)N6CCCCC6

DOS

IR

Vibrations