Geometry & MOs

Info

ID:

328077

PubChem CID:

126691976

Reduced:

N3O3F6C31H31 (1)

Stoich.:

A3B3C6D31E31 (1)

Weight, g/mol:

1363.52397

ΔHf, kcal/mol:

-376.22

Dipole, Da:

9.56

IP(EA), eV:

 -8.78(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-3-[[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28Z,30R,32S,35R)-1,18-dihydroxy-12-[1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-30-yl]oxy]-2-hydroxypropoxy]-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide

Drug info:

PubChemData

Smile

CCCC1=CC(=C(C=C1)OC)C2=C(N=C(C=C2)N3CCC3)CN4C(C(OC4=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C

DOS

IR

Vibrations