Geometry & MOs

Info

ID:

49487

PubChem CID:

11533103

Reduced:

FN4O5C25H25 (1)

Stoich.:

AB4C5D25E25 (1)

Weight, g/mol:

480.147884

ΔHf, kcal/mol:

-146.9

Dipole, Da:

3.97

IP(EA), eV:

 -9.14(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[[(E)-(3,4-dioxospiro[7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-10,1'-cyclobutane]-2-ylidene)-hydroxymethyl]amino]methyl]-5-fluoro-N,N-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)NC(=O)C2=CC(=CC(=C2)O[C@@H](C)CO)OC3=C(C=C(C=C3)C(=O)N4CCC4)F

DOS

IR

Vibrations