Geometry & MOs

Info

ID:

425971

PubChem CID:

135133916

Reduced:

F5N10H17C23 (1)

Stoich.:

A5B10C17D23 (1)

Weight, g/mol:

512.098427

ΔHf, kcal/mol:

-33.21

Dipole, Da:

9.66

IP(EA), eV:

 -9.0(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3R)-5-[(4-chloro-2-fluorophenyl)methyl]-8-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxylate

Drug info:

PubChemData

Smile

CCC(C1=CN(N=N1)C2=C(C=C(C=C2)F)F)C3=N/C(=C(/N)\N=C/N)/C(=C3C#N)C4=CN=C(N=C4)C(F)(F)F

DOS

IR

Vibrations