Geometry & MOs

Info

ID:

128261

PubChem CID:

51036910

Reduced:

O2N3F6C20H23 (1)

Stoich.:

A2B3C6D20E23 (1)

Weight, g/mol:

588.27817

ΔHf, kcal/mol:

-394.11

Dipole, Da:

2.8

IP(EA), eV:

 -9.36(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(10,10-dimethyl-12,12-dioxo-4-oxa-12lambda6-thia-7-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-7-yl)-2-fluoro-6-[[4-(2-pyrrolidin-1-ylethoxy)cyclohexyl]amino]benzamide

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@@H](C1)C(=O)N2CC(C2)CC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N

DOS

IR

Vibrations