Geometry & MOs

Info

ID:

336624

PubChem CID:

127255631

Reduced:

FSN5O5C35H48 (1)

Stoich.:

ABC5D5E35F48 (1)

Weight, g/mol:

652.323892

ΔHf, kcal/mol:

-226.25

Dipole, Da:

5.67

IP(EA), eV:

 -8.73(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4E,6E,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;hydrochloride

Drug info:

PubChemData

Smile

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)N([C@H](C(=O)N)C(C)(C)C)C(=O)CNCC2=CC(=CC=C2)F)O)S(=O)(=O)C3=CC=CC(=C3)N

DOS

IR

Vibrations