Geometry & MOs

Info

ID:

59797

PubChem CID:

24897666

Reduced:

SO3N6C23H28 (1)

Stoich.:

AB3C6D23E28 (1)

Weight, g/mol:

654.272336

ΔHf, kcal/mol:

7.86

Dipole, Da:

4.69

IP(EA), eV:

 -8.32(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,4S,6S,7Z,15R,17R)-N-cyclopropylsulfonyl-17-(2-ethoxy-7-methoxyquinolin-4-yl)oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)N2CCC(CC2)OC3=NC=NC4=C3CCN4C5=CC=C(C=C5)[S@](=O)C

DOS

IR

Vibrations