Geometry & MOs

Info

ID:

446204

PubChem CID:

135273103

Reduced:

FN6H27C34 (1)

Stoich.:

AB6C27D34 (1)

Weight, g/mol:

695.339293

ΔHf, kcal/mol:

166.49

Dipole, Da:

1.57

IP(EA), eV:

 -8.5(-1.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-acetamido-3-[[22-(2-hydroxyethoxy)-7,18-di(pentan-3-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]sulfanyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CN=CC(=C6)CNCC7=CC=CC=C7)/C=C32

DOS

IR

Vibrations