Geometry & MOs

Info

ID:

128263

PubChem CID:

51036931

Reduced:

FSN4O5C30H43 (1)

Stoich.:

ABC4D5E30F43 (1)

Weight, g/mol:

562.26252

ΔHf, kcal/mol:

-249.51

Dipole, Da:

7.73

IP(EA), eV:

 -8.85(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[2-(dimethylamino)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

CCN(CC)CCOC1CCC(CC1)NC2=C(C(=CC(=C2)N3C4=C(C5=C3COC5)S(=O)(=O)CC(C4)(C)C)F)C(=O)N

DOS

IR

Vibrations