Geometry & MOs

Info

ID:

189716

PubChem CID:

77894521

Reduced:

N7O10C26H53 (1)

Stoich.:

A7B10C26D53 (1)

Weight, g/mol:

449.186318

ΔHf, kcal/mol:

-462.67

Dipole, Da:

3.38

IP(EA), eV:

 -9.37(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-acetyl-8-amino-6-[3-(benzimidazol-1-yl)propylamino]-7-fluoro-2-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraen-10-one

Drug info:

PubChemData

Smile

C1CC(C(OC1CN)OC2C(CC(C(C2OC3C(C(C(O3)CO)OC4C(CCC(O4)CN)N)O)O)NCC(CN)O)N)N

DOS

IR

Vibrations