Geometry & MOs

Info

ID:

169487

PubChem CID:

75110528

Reduced:

ClOSN2H11C17 (1)

Stoich.:

ABCD2E11F17 (1)

Weight, g/mol:

490.192399

ΔHf, kcal/mol:

74.63

Dipole, Da:

5.13

IP(EA), eV:

 -8.45(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[19-ethyl-14,18-dioxo-10-(2-trimethylsilylethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] acetate

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=O)C3=C(S2)N=CC=C3)N=C4C1C=CC=C4)Cl

DOS

IR

Vibrations