Geometry & MOs

Info

ID:

425960

PubChem CID:

135133656

Reduced:

F2N3O5C26H27 (1)

Stoich.:

A2B3C5D26E27 (1)

Weight, g/mol:

508.123499

ΔHf, kcal/mol:

-226.31

Dipole, Da:

7.32

IP(EA), eV:

 -8.93(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=NC=CC(=C2)C(C)(F)F)C3=CC(=NC(=C3)OCCO)C4(COC4)OC

DOS

IR

Vibrations