Geometry & MOs

Info

ID:

128262

PubChem CID:

51036930

Reduced:

FSN4O5C30H41 (1)

Stoich.:

ABC4D5E30F41 (1)

Weight, g/mol:

590.29382

ΔHf, kcal/mol:

-241.24

Dipole, Da:

8.74

IP(EA), eV:

 -8.97(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[2-(diethylamino)ethoxy]cyclohexyl]amino]-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)-6-fluorobenzamide

Drug info:

PubChemData

Smile

CC1(CC2=C(C3=C(N2C4=CC(=C(C(=C4)F)C(=O)N)NC5CCC(CC5)OCCN6CCCC6)COC3)S(=O)(=O)C1)C

DOS

IR

Vibrations