Geometry & MOs

Info

ID:

173157

PubChem CID:

75604899

Reduced:

ClO13N17C77H96 (1)

Stoich.:

AB13C17D77E96 (1)

Weight, g/mol:

297.123718

ΔHf, kcal/mol:

-490.03

Dipole, Da:

4.46

IP(EA), eV:

 -8.24(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)-4,5-dimethyloxolan-3-ol

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)N)NC(=O)C(CC3=CC=C(C=C3)CN4CCOCC4)NC(=O)C(CO)NC(=O)C(CC5=CN=CC=C5)NC(=O)C(CC6=CC=C(C=C6)Cl)N7C(=O)C(NC7=O)CC8=CC9=CC=CC=C9C=C8

DOS

IR

Vibrations