Geometry & MOs

Info

ID:

189938

PubChem CID:

77926483

Reduced:

FOSN2C15H21 (1)

Stoich.:

ABCD2E15F21 (1)

Weight, g/mol:

652.347215

ΔHf, kcal/mol:

-69.97

Dipole, Da:

1.09

IP(EA), eV:

 -8.15(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 8-cyclohexyl-25-ethoxy-21-methoxy-7,10-dioxo-2,16-dioxa-6,9,11,24-tetrazapentacyclo[18.6.2.13,6.111,15.023,27]triaconta-1(26),20(28),21,23(27),24-pentaene-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(N1)C=CC(=C2F)C(C)NS(=O)C(C)(C)C

DOS

IR

Vibrations