Geometry & MOs

Info

ID:

379753

PubChem CID:

134464277

Reduced:

F2N3O3C22H23 (1)

Stoich.:

A2B3C3D22E23 (1)

Weight, g/mol:

613.133042

ΔHf, kcal/mol:

-137.74

Dipole, Da:

9.19

IP(EA), eV:

 -8.41(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(3R)-2-[(11S)-7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxycarbonyloxy]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)NC2=NC(=O)C(=CN2CC3=CC(=C(C(=C3)F)C)F)OC)C

DOS

IR

Vibrations