Geometry & MOs

Info

ID:

336335

PubChem CID:

127255342

Reduced:

ClFNO5H25C35 (1)

Stoich.:

ABCD5E25F35 (1)

Weight, g/mol:

566.073692

ΔHf, kcal/mol:

-38.64

Dipole, Da:

8.95

IP(EA), eV:

 -8.43(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[(2S,16S)-9-(4-chlorophenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-en-14-yl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)[C@H]2[C@@H](N3C(C24C(=O)C5=CC=CC=C5C4=O)C=CC6=C3C=CC(=C6)F)C(=O)C7=CC=C(C=C7)Cl

DOS

IR

Vibrations